#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3l s LYS 2 N 0.00 1.10 -0.15 0.03 1.02 -1.26 -2.02 119.74 118.46 1s3l s LYS 2 Ca 0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 55.97 55.71 1s3l s LYS 2 Cb 0.00 -1.00 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 1s3l s LYS 2 CO 0.00 0.04 -0.11 0.42 -0.92 0.00 0.00 175.35 174.78 1s3l s ILE 3 N 0.50 3.11 0.34 2.17 1.01 0.11 -1.65 121.20 126.78 1s3l s ILE 3 Ca -0.08 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 1s3l s ILE 3 Cb -0.12 -2.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.92 1s3l s ILE 3 CO 0.01 0.51 0.95 -0.83 0.00 0.00 0.00 174.94 175.57 1s3l s GLY 4 N 0.56 2.75 -0.04 6.18 0.00 -0.26 -0.95 107.32 115.57 1s3l s GLY 4 Ca -0.07 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.16 1s3l s GLY 4 CO 0.03 0.93 -0.02 -0.42 0.00 0.00 0.00 173.10 173.62 1s3l s ILE 5 N -1.69 0.36 0.26 0.90 1.01 0.11 -0.28 121.20 121.88 1s3l s ILE 5 Ca 0.52 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1s3l s ILE 5 Cb -0.17 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.86 1s3l s ILE 5 CO 0.22 0.19 0.47 0.00 0.00 0.00 0.00 174.94 175.83 1s3l s MET 6 N 1.06 1.61 -0.02 2.79 0.23 -0.08 -0.55 119.30 124.34 1s3l s MET 6 Ca -0.09 -1.36 -0.30 0.00 -1.03 0.00 0.00 55.69 52.91 1s3l s MET 6 Cb -0.14 0.46 0.11 0.00 -1.53 0.00 0.00 34.83 33.73 1s3l s MET 6 CO -0.01 -0.67 1.13 0.45 -2.03 0.00 0.00 175.02 173.89 1s3l s SER 7 N -3.06 -0.15 -1.33 -1.18 0.15 -1.26 -2.64 113.70 104.23 1s3l s SER 7 Ca 0.24 -0.14 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 1s3l s SER 7 Cb -0.00 0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1s3l s SER 7 CO 0.11 -0.47 0.52 0.47 1.20 0.00 0.00 173.24 175.07 1s3l n ASP 8 N -0.35 -1.64 0.17 5.45 8.00 -1.26 -1.43 116.55 125.49 1s3l n ASP 8 Ca -0.06 -1.01 0.01 0.00 0.71 0.00 0.00 54.79 54.44 1s3l n ASP 8 Cb 0.61 -3.12 0.28 0.00 -0.02 0.00 0.00 41.12 38.88 1s3l n ASP 8 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1s3l h THR 9 N -1.88 1.32 -6.89 -3.53 1.35 -1.79 -2.83 112.91 98.66 1s3l h THR 9 Ca -0.64 -1.63 -0.58 0.00 -0.55 0.00 0.00 66.41 63.00 1s3l h THR 9 Cb 1.37 1.89 -0.13 0.00 -1.73 0.00 0.00 68.15 69.55 1s3l h THR 9 CO 0.58 0.46 -0.95 1.41 -0.25 0.00 0.00 175.52 176.77 1s3l n HIS 10 N -3.94 -1.40 -1.23 4.73 8.25 -0.71 -1.51 115.22 119.42 1s3l n HIS 10 Ca -0.01 0.57 -0.09 0.00 -0.26 0.00 0.00 57.72 57.93 1s3l n HIS 10 Cb 0.50 -3.06 -0.04 0.00 1.12 0.00 0.00 29.99 28.51 1s3l n HIS 10 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s3l n ASP 11 N -2.81 -5.46 -4.54 0.41 8.00 -0.76 -4.88 116.55 106.51 1s3l n ASP 11 Ca -0.29 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 1s3l n ASP 11 Cb 0.68 -3.91 -0.01 0.00 -0.02 0.00 0.00 41.12 37.86 1s3l n ASP 11 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1s3l s HIS 12 N -1.72 2.98 0.20 1.24 2.46 -0.57 -4.85 115.29 115.04 1s3l s HIS 12 Ca 0.00 -1.66 -0.14 0.00 0.47 0.00 0.00 55.06 53.72 1s3l s HIS 12 Cb 0.00 -4.59 0.22 0.00 -0.13 0.00 0.00 32.58 28.08 1s3l s HIS 12 CO 0.00 -1.68 1.63 -0.07 -2.47 0.00 0.00 174.74 172.14 1s3l h LEU 13 N 11.62 -0.61 -0.76 8.88 4.07 -1.90 0.36 115.31 136.98 1s3l h LEU 13 Ca 0.36 0.19 0.06 0.00 0.08 0.00 0.00 57.88 58.56 1s3l h LEU 13 Cb 0.90 0.39 -0.06 0.00 1.08 0.00 0.00 40.66 42.97 1s3l h LEU 13 CO 1.37 -0.21 0.46 -0.65 -1.08 0.00 0.00 178.44 178.33 1s3l h PRO 14 N -0.01 0.81 -0.05 1.13 0.11 -1.99 0.16 132.00 132.15 1s3l h PRO 14 Ca 0.29 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 1s3l h PRO 14 Cb 0.46 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1s3l h PRO 14 CO -0.63 0.54 -0.81 -0.91 -0.21 0.00 0.00 178.00 175.98 1s3l h ASN 15 N 0.84 0.52 -0.45 -2.05 2.35 -1.60 -1.52 115.58 113.67 1s3l h ASN 15 Ca 0.33 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1s3l h ASN 15 Cb 0.16 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1s3l h ASN 15 CO -0.17 1.14 0.23 0.40 -1.65 0.00 0.00 177.43 177.37 1s3l h ILE 16 N 0.27 0.98 -0.92 2.81 2.04 0.22 -0.60 117.51 122.31 1s3l h ILE 16 Ca -0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1s3l h ILE 16 Cb 1.41 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1s3l h ILE 16 CO 0.14 0.08 0.55 0.03 0.00 0.00 0.00 178.15 178.95 1s3l h ARG 17 N 0.46 1.25 -0.57 2.37 3.08 -0.58 -1.55 114.38 118.84 1s3l h ARG 17 Ca 0.19 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1s3l h ARG 17 Cb 0.09 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1s3l h ARG 17 CO -0.13 0.88 0.05 0.87 -1.07 0.00 0.00 179.97 180.57 1s3l h LYS 18 N 1.27 0.97 -0.09 0.04 1.57 -0.79 -2.03 116.57 117.51 1s3l h LYS 18 Ca 0.33 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1s3l h LYS 18 Cb -0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1s3l h LYS 18 CO -0.06 0.95 -0.06 0.00 -0.57 0.00 0.00 179.45 179.70 1s3l h ALA 19 N 0.99 0.02 -0.20 3.86 0.00 -0.59 -0.42 119.26 122.91 1s3l h ALA 19 Ca 0.17 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1s3l h ALA 19 Cb 0.47 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1s3l h ALA 19 CO 0.02 -0.53 -0.01 0.82 0.00 0.00 0.00 179.25 179.55 1s3l h ILE 20 N -0.07 0.85 -0.55 0.00 2.04 -1.17 -0.08 117.51 118.52 1s3l h ILE 20 Ca 0.06 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1s3l h ILE 20 Cb 0.15 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1s3l h ILE 20 CO -0.14 0.01 0.22 -0.33 0.00 0.00 0.00 178.15 177.91 1s3l h GLU 21 N 0.05 0.40 -0.75 2.37 5.08 -1.04 0.45 114.58 121.14 1s3l h GLU 21 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1s3l h GLU 21 Cb 0.12 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1s3l h GLU 21 CO -0.16 0.26 0.39 0.82 -1.00 0.00 0.00 179.01 179.32 1s3l h ILE 22 N 0.41 1.23 -0.18 3.13 2.04 -0.35 -0.29 117.51 123.50 1s3l h ILE 22 Ca 0.27 -0.59 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 1s3l h ILE 22 Cb 0.28 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1s3l h ILE 22 CO -0.25 0.26 -0.58 -0.26 0.00 0.00 0.00 178.15 177.32 1s3l h PHE 23 N 1.05 0.74 0.24 1.37 0.04 0.01 -2.83 116.94 117.56 1s3l h PHE 23 Ca 0.26 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1s3l h PHE 23 Cb 0.05 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1s3l h PHE 23 CO 0.01 1.02 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.71 1s3l h ASN 24 N 0.44 -0.27 -0.15 2.17 2.35 -0.59 -2.95 115.58 116.58 1s3l h ASN 24 Ca 0.00 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1s3l h ASN 24 Cb 1.14 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1s3l h ASN 24 CO 0.11 0.12 0.36 0.44 -1.65 0.00 0.00 177.43 176.81 1s3l h ASP 25 N -0.71 0.00 -1.79 5.81 3.45 -1.10 -3.40 116.42 118.68 1s3l h ASP 25 Ca -0.03 0.00 -0.43 0.00 0.43 0.00 0.00 57.03 57.00 1s3l h ASP 25 Cb 0.49 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.29 1s3l h ASP 25 CO 0.05 0.00 -0.16 -1.61 -1.57 0.00 0.00 179.24 175.95 1s3l s GLU 26 N -4.31 2.67 0.00 3.56 0.41 -1.07 -5.05 118.70 114.92 1s3l s GLU 26 Ca -0.04 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 53.42 1s3l s GLU 26 Cb 0.11 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1s3l s GLU 26 CO 0.39 -0.49 0.66 0.09 -0.49 0.00 0.00 175.26 175.42 1s3l n ASN 27 N -2.07 0.00 -2.84 -0.19 3.02 -1.26 -4.90 115.26 107.02 1s3l n ASN 27 Ca 0.09 0.66 -0.02 0.00 -0.03 0.00 0.00 54.58 55.28 1s3l n ASN 27 Cb 0.59 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1s3l n ASN 27 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s3l n VAL 28 N -1.07 -8.47 -0.02 2.41 0.31 -1.23 -4.82 118.33 105.44 1s3l n VAL 28 Ca 0.00 1.58 -0.11 0.00 -0.01 0.00 0.00 64.34 65.79 1s3l n VAL 28 Cb 0.00 -5.27 -0.09 0.00 -0.91 0.00 0.00 33.84 27.57 1s3l n VAL 28 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1s3l h GLU 29 N 3.89 -0.07 -5.39 5.55 4.11 -1.66 -3.43 114.58 117.58 1s3l h GLU 29 Ca -0.19 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.80 1s3l h GLU 29 Cb 0.61 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.73 1s3l h GLU 29 CO 0.03 0.54 -0.69 0.95 0.07 0.00 0.00 179.01 179.92 1s3l s THR 30 N -2.91 1.50 -0.05 -1.06 -4.23 -1.26 -2.78 115.64 104.85 1s3l s THR 30 Ca -0.14 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.27 1s3l s THR 30 Cb -0.01 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.59 1s3l s THR 30 CO 0.54 -0.43 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.39 1s3l s VAL 31 N -3.11 1.00 -0.16 2.29 1.01 -0.55 -1.10 120.40 119.78 1s3l s VAL 31 Ca 0.26 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1s3l s VAL 31 Cb 0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1s3l s VAL 31 CO 0.09 0.32 0.01 -0.63 0.00 0.00 0.00 175.10 174.89 1s3l s ILE 32 N 0.49 4.36 -0.21 2.22 1.01 0.62 -1.22 121.20 128.47 1s3l s ILE 32 Ca -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1s3l s ILE 32 Cb -0.13 -2.93 0.06 0.00 0.01 0.00 0.00 42.46 39.47 1s3l s ILE 32 CO 0.02 0.49 0.00 -2.28 0.00 0.00 0.00 174.94 173.18 1s3l s HIS 33 N 0.21 1.57 -1.25 3.97 2.46 -0.89 -0.90 115.29 120.47 1s3l s HIS 33 Ca 0.01 -1.22 0.27 0.00 0.47 0.00 0.00 55.06 54.59 1s3l s HIS 33 Cb -0.13 -1.25 0.90 0.00 -0.13 0.00 0.00 32.58 31.97 1s3l s HIS 33 CO 0.02 -0.68 1.68 0.00 -2.47 0.00 0.00 174.74 173.28 1s3l n GLY 35 N 1.42 -3.10 3.09 0.00 0.00 -1.25 -4.13 105.19 101.24 1s3l n GLY 35 Ca 0.09 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1s3l n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s3l s ASP 36 N -0.90 5.71 0.13 1.61 -0.00 -1.26 -1.99 116.67 119.97 1s3l s ASP 36 Ca 0.33 -3.46 -0.18 0.00 -0.00 0.00 0.00 52.55 49.24 1s3l s ASP 36 Cb 0.03 -1.88 -0.04 0.00 -0.00 0.00 0.00 42.92 41.03 1s3l s ASP 36 CO 0.63 -0.24 1.73 -0.26 -0.00 0.00 0.00 175.17 177.03 1s3l h PHE 37 N 6.30 0.42 0.00 4.23 -1.00 -1.93 -1.85 116.94 123.10 1s3l h PHE 37 Ca 0.11 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1s3l h PHE 37 Cb 0.85 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.28 1s3l h PHE 37 CO 0.72 0.34 0.00 0.28 -1.61 0.00 0.00 178.31 178.05 1s3l n VAL 38 N -4.81 0.00 -3.73 -0.55 0.31 -1.26 -1.83 118.33 106.46 1s3l n VAL 38 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.95 1s3l n VAL 38 Cb 0.08 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 1s3l n VAL 38 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1s3l s SER 39 N -2.70 6.54 0.35 4.52 0.01 -1.26 -4.22 113.70 116.94 1s3l s SER 39 Ca 0.00 0.63 0.12 0.00 1.31 0.00 0.00 55.95 58.01 1s3l s SER 39 Cb 0.00 -2.12 0.94 0.00 0.21 0.00 0.00 66.02 65.05 1s3l s SER 39 CO 0.00 0.31 1.75 -0.07 0.41 0.00 0.00 173.24 175.64 1s3l h LEU 40 N 4.39 0.61 -1.99 2.44 3.38 -1.94 -1.09 115.31 121.10 1s3l h LEU 40 Ca -0.52 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1s3l h LEU 40 Cb 1.21 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1s3l h LEU 40 CO 0.63 0.13 0.00 2.19 0.09 0.00 0.00 178.44 181.48 1s3l h PHE 41 N 0.54 0.00 -0.57 1.13 -5.15 -2.00 -1.46 116.94 109.44 1s3l h PHE 41 Ca 0.61 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 58.28 1s3l h PHE 41 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.42 1s3l h PHE 41 CO -0.00 0.00 -0.07 0.28 -2.00 0.00 0.00 178.31 176.52 1s3l h VAL 42 N 0.00 1.27 -0.59 0.88 2.07 -1.57 -2.83 116.25 115.48 1s3l h VAL 42 Ca 0.00 -1.22 0.13 0.00 0.82 0.00 0.00 66.70 66.42 1s3l h VAL 42 Cb 0.05 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1s3l h VAL 42 CO 0.00 0.44 0.40 0.40 0.02 0.00 0.00 177.57 178.83 1s3l h ILE 43 N 0.94 0.82 -0.39 4.57 1.08 -1.42 0.39 117.51 123.50 1s3l h ILE 43 Ca 0.15 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 1s3l h ILE 43 Cb 0.63 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 1s3l h ILE 43 CO 0.04 0.05 0.23 0.50 -0.69 0.00 0.00 178.15 178.27 1s3l h LYS 44 N 0.26 0.45 -0.20 2.37 1.63 -1.62 -0.81 116.57 118.63 1s3l h LYS 44 Ca 0.28 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.11 1s3l h LYS 44 Cb 0.75 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1s3l h LYS 44 CO -0.06 0.29 0.44 0.93 -3.45 0.00 0.00 179.45 177.60 1s3l h GLU 45 N 0.46 0.00 -0.01 1.90 4.39 -0.99 -0.80 114.58 119.53 1s3l h GLU 45 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1s3l h GLU 45 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1s3l h GLU 45 CO -0.07 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 178.97 1s3l n PHE 46 N -3.22 0.01 0.17 4.33 3.72 -0.31 -3.25 117.46 118.91 1s3l n PHE 46 Ca 0.03 -0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.45 1s3l n PHE 46 Cb 0.55 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.37 1s3l n PHE 46 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1s3l h GLU 47 N 0.27 0.00 0.00 -1.08 5.08 -1.26 -2.57 114.58 115.01 1s3l h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s3l h GLU 47 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s3l h GLU 47 CO 0.00 0.46 0.00 0.09 -1.00 0.00 0.00 179.01 178.56 1s3l n ASN 48 N -3.74 0.00 -4.63 1.42 3.02 -1.20 -4.75 115.26 105.38 1s3l n ASN 48 Ca -0.01 -0.47 -0.40 0.00 -0.03 0.00 0.00 54.58 53.67 1s3l n ASN 48 Cb 0.52 -0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 1s3l n ASN 48 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1s3l s LEU 49 N -2.29 4.06 -1.20 3.41 2.96 -0.97 -4.96 118.68 119.69 1s3l s LEU 49 Ca 0.33 0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 54.82 1s3l s LEU 49 Cb 0.19 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1s3l s LEU 49 CO 0.37 -0.33 2.86 0.59 -1.32 0.00 0.00 176.35 178.52 1s3l n ASN 50 N 5.59 7.85 -3.54 3.68 3.02 -1.26 -4.84 115.26 125.75 1s3l n ASN 50 Ca -0.02 -2.80 -0.08 0.00 -0.03 0.00 0.00 54.58 51.66 1s3l n ASN 50 Cb 0.49 -1.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.19 1s3l n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s3l s ALA 51 N 0.60 -1.91 0.71 5.41 0.00 -1.26 -4.89 121.76 120.41 1s3l s ALA 51 Ca 0.64 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.78 1s3l s ALA 51 Cb 0.22 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1s3l s ALA 51 CO -0.08 -0.58 1.08 0.54 0.00 0.00 0.00 175.76 176.73 1s3l s ASN 52 N -2.10 5.25 -0.09 0.00 4.22 -1.12 -4.84 114.94 116.26 1s3l s ASN 52 Ca 0.05 0.97 0.04 0.00 -2.14 0.00 0.00 52.86 51.78 1s3l s ASN 52 Cb -0.01 -1.73 0.00 0.00 1.28 0.00 0.00 41.25 40.79 1s3l s ASN 52 CO -0.06 -1.43 -0.22 -0.63 -2.04 0.00 0.00 177.10 172.72 1s3l s ILE 53 N -3.35 1.90 -0.35 0.54 1.01 -1.26 -1.48 121.20 118.21 1s3l s ILE 53 Ca 0.58 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1s3l s ILE 53 Cb -0.11 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.80 1s3l s ILE 53 CO 0.50 0.53 0.09 -0.63 0.00 0.00 0.00 174.94 175.42 1s3l s ILE 54 N 0.34 2.95 0.37 2.92 1.01 -0.36 -2.18 121.20 126.25 1s3l s ILE 54 Ca -0.17 -1.84 0.08 0.00 0.00 0.00 0.00 60.65 58.72 1s3l s ILE 54 Cb -0.17 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1s3l s ILE 54 CO 0.08 -0.43 0.13 0.00 0.00 0.00 0.00 174.94 174.71 1s3l s ALA 55 N 1.14 3.46 0.05 9.38 0.00 -0.18 -2.09 121.76 133.52 1s3l s ALA 55 Ca 0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 51.96 49.98 1s3l s ALA 55 Cb -0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1s3l s ALA 55 CO -0.04 -0.04 0.04 -0.08 0.00 0.00 0.00 175.76 175.64 1s3l s THR 56 N -2.52 0.17 0.04 0.00 -1.32 -0.43 -2.80 115.64 108.78 1s3l s THR 56 Ca 0.38 -1.42 -0.14 0.00 -1.21 0.00 0.00 61.69 59.31 1s3l s THR 56 Cb 0.01 -1.19 -0.06 0.00 -1.51 0.00 0.00 72.50 69.75 1s3l s THR 56 CO 0.22 -0.78 0.43 -0.31 -2.21 0.00 0.00 174.62 171.97 1s3l s TYR 57 N -3.30 3.69 0.59 9.09 2.02 -0.76 -3.91 117.35 124.77 1s3l s TYR 57 Ca 0.01 0.98 0.09 0.00 -0.37 0.00 0.00 57.07 57.78 1s3l s TYR 57 Cb 0.03 -2.28 0.09 0.00 -0.40 0.00 0.00 41.96 39.40 1s3l s TYR 57 CO -0.08 0.59 0.78 0.20 -1.57 0.00 0.00 175.55 175.47 1s3l s GLY 58 N -1.29 1.77 0.24 0.71 0.00 -0.84 -4.38 107.32 103.53 1s3l s GLY 58 Ca 0.28 -2.10 -0.01 0.00 0.00 0.00 0.00 44.72 42.89 1s3l s GLY 58 CO 0.15 -1.74 1.63 3.45 0.00 0.00 0.00 173.10 176.59 1s3l h ASN 59 N 0.18 0.59 0.43 1.64 7.08 -1.95 -3.11 115.58 120.44 1s3l h ASN 59 Ca -0.29 -0.24 0.00 0.00 -3.08 0.00 0.00 56.30 52.69 1s3l h ASN 59 Cb 1.29 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 1s3l h ASN 59 CO 0.42 0.89 -0.04 0.59 -2.08 0.00 0.00 177.43 177.21 1s3l n ASN 60 N -4.06 0.16 -4.60 6.14 3.02 -1.26 -4.78 115.26 109.88 1s3l n ASN 60 Ca -0.01 -0.39 -0.43 0.00 -0.03 0.00 0.00 54.58 53.72 1s3l n ASN 60 Cb 0.48 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1s3l n ASN 60 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1s3l s ASP 61 N -2.47 6.17 -0.12 6.41 1.01 -1.18 -4.77 116.67 121.71 1s3l s ASP 61 Ca 0.31 0.85 -0.11 0.00 0.71 0.00 0.00 52.55 54.31 1s3l s ASP 61 Cb 0.20 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.50 1s3l s ASP 61 CO 0.46 -1.56 0.22 1.23 0.21 0.00 0.00 175.17 175.72 1s3l h GLY 62 N 12.79 0.00 -6.08 0.21 0.00 -1.87 -3.41 103.07 104.72 1s3l h GLY 62 Ca -0.29 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.31 1s3l h GLY 62 CO 1.09 0.00 2.66 1.18 0.00 0.00 0.00 176.54 181.47 1s3l n GLU 63 N -4.69 3.40 -0.04 4.80 1.02 -1.26 -4.84 120.64 119.04 1s3l n GLU 63 Ca -0.06 -3.04 -0.09 0.00 -0.02 0.00 0.00 57.16 53.95 1s3l n GLU 63 Cb 0.22 -3.04 -0.03 0.00 -0.02 0.00 0.00 31.44 28.57 1s3l n GLU 63 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s3l h ARG 64 N 5.69 -0.29 -0.17 3.49 3.08 -1.98 0.36 114.38 124.56 1s3l h ARG 64 Ca 0.53 0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.45 1s3l h ARG 64 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1s3l h ARG 64 CO 1.74 -0.20 -0.52 0.00 -1.07 0.00 0.00 179.97 179.92 1s3l h LYS 66 N 0.37 0.75 -0.37 0.00 1.79 -1.90 0.13 116.57 117.33 1s3l h LYS 66 Ca 0.01 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 1s3l h LYS 66 Cb 1.04 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1s3l h LYS 66 CO 0.09 0.75 0.07 -0.07 -1.08 0.00 0.00 179.45 179.22 1s3l h LEU 67 N 0.70 0.58 0.36 2.94 3.38 -0.74 -0.24 115.31 122.29 1s3l h LEU 67 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1s3l h LEU 67 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1s3l h LEU 67 CO 0.02 0.68 -0.17 0.50 0.09 0.00 0.00 178.44 179.55 1s3l h LYS 68 N 0.45 -0.47 -0.35 1.13 3.64 -0.90 -1.11 116.57 118.97 1s3l h LYS 68 Ca 0.11 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1s3l h LYS 68 Cb 0.34 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 1s3l h LYS 68 CO 0.00 -0.25 -0.21 0.93 -2.27 0.00 0.00 179.45 177.65 1s3l h GLU 69 N -0.59 -0.16 -0.70 1.90 5.08 -0.67 -1.48 114.58 117.96 1s3l h GLU 69 Ca -0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1s3l h GLU 69 Cb 0.43 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1s3l h GLU 69 CO 0.08 -0.11 0.28 -1.49 -1.00 0.00 0.00 179.01 176.77 1s3l h TRP 70 N -0.16 1.04 -0.41 4.33 4.06 -0.97 -1.99 115.95 121.85 1s3l h TRP 70 Ca 0.18 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 1s3l h TRP 70 Cb 0.44 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 1s3l h TRP 70 CO -0.42 0.80 0.08 -0.07 -3.56 0.00 0.00 178.44 175.26 1s3l h LEU 71 N 1.01 0.57 -0.67 -4.49 3.38 -0.55 -2.42 115.31 112.14 1s3l h LEU 71 Ca 0.23 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1s3l h LEU 71 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1s3l h LEU 71 CO -0.02 0.59 -0.38 0.11 0.09 0.00 0.00 178.44 178.83 1s3l h LYS 72 N 0.60 0.00 -0.13 1.13 1.57 -0.71 -2.69 116.57 116.34 1s3l h LYS 72 Ca 0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1s3l h LYS 72 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1s3l h LYS 72 CO 0.00 0.38 -0.35 -0.44 -0.57 0.00 0.00 179.45 178.48 1s3l h ASP 73 N 0.00 0.27 0.61 0.86 3.32 -0.90 -1.64 116.42 118.95 1s3l h ASP 73 Ca -0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 1s3l h ASP 73 Cb 1.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1s3l h ASP 73 CO 0.05 0.61 -0.35 0.40 -1.72 0.00 0.00 179.24 178.23 1s3l h ILE 74 N 0.23 0.97 0.00 0.35 1.08 -1.19 -3.45 117.51 115.50 1s3l h ILE 74 Ca 0.03 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1s3l h ILE 74 Cb 0.73 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1s3l h ILE 74 CO 0.06 0.34 0.00 -3.20 -0.69 0.00 0.00 178.15 174.65 1s3l n ASN 75 N -3.72 0.00 0.27 1.72 4.05 -0.63 -5.02 115.26 111.92 1s3l n ASN 75 Ca -0.01 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.16 1s3l n ASN 75 Cb 0.44 0.00 0.74 0.00 1.23 0.00 0.00 39.78 42.19 1s3l n ASN 75 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1s3l h GLU 76 N 0.00 0.00 -0.18 1.20 -0.00 -1.81 -2.74 114.58 111.05 1s3l h GLU 76 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 1s3l h GLU 76 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1s3l h GLU 76 CO 0.00 0.10 -0.38 0.93 -0.00 0.00 0.00 179.01 179.66 1s3l h GLU 77 N 0.00 0.39 -6.87 1.06 4.39 -1.93 -3.46 114.58 108.16 1s3l h GLU 77 Ca -0.00 -0.18 -0.56 0.00 0.34 0.00 0.00 59.36 58.96 1s3l h GLU 77 Cb 0.37 -0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.15 1s3l h GLU 77 CO 0.01 0.72 0.49 0.09 -1.16 0.00 0.00 179.01 179.16 1s3l n ASN 78 N -4.04 2.50 -4.01 1.42 3.02 -1.03 -4.87 115.26 108.25 1s3l n ASN 78 Ca -0.01 1.07 -0.08 0.00 -0.03 0.00 0.00 54.58 55.53 1s3l n ASN 78 Cb 0.48 -1.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.04 1s3l n ASN 78 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1s3l s ILE 79 N -1.23 0.18 -0.27 2.41 -4.36 -0.93 -4.74 121.20 112.26 1s3l s ILE 79 Ca 0.63 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 59.40 1s3l s ILE 79 Cb -0.49 -1.18 0.08 0.00 1.25 0.00 0.00 42.46 42.12 1s3l s ILE 79 CO 0.56 -0.80 0.68 -0.51 0.24 0.00 0.00 174.94 175.11 1s3l s ILE 80 N -3.26 -0.00 0.38 8.37 2.07 -1.26 -1.01 121.20 126.49 1s3l s ILE 80 Ca 0.01 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.19 1s3l s ILE 80 Cb 0.03 -0.97 0.03 0.00 0.13 0.00 0.00 42.46 41.67 1s3l s ILE 80 CO -0.08 0.00 0.60 -0.62 -1.91 0.00 0.00 174.94 172.94 1s3l s ASP 81 N 1.38 0.72 0.21 4.50 2.15 -1.12 -4.96 116.67 119.54 1s3l s ASP 81 Ca -0.08 -1.44 -0.05 0.00 0.43 0.00 0.00 52.55 51.41 1s3l s ASP 81 Cb -0.05 0.75 0.17 0.00 -0.30 0.00 0.00 42.92 43.49 1s3l s ASP 81 CO -0.16 -1.49 1.61 0.44 -0.17 0.00 0.00 175.17 175.41 1s3l h ASP 82 N 2.04 0.78 -4.49 -0.34 3.32 -1.90 -2.03 116.42 113.80 1s3l h ASP 82 Ca -0.30 -0.30 -0.36 0.00 0.02 0.00 0.00 57.03 56.09 1s3l h ASP 82 Cb 1.24 -0.22 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 1s3l h ASP 82 CO 0.40 1.01 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.80 1s3l s PHE 83 N -4.52 0.94 -0.04 4.55 0.40 -1.26 -4.32 117.98 113.73 1s3l s PHE 83 Ca -0.09 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1s3l s PHE 83 Cb 0.13 -0.55 0.02 0.00 0.51 0.00 0.00 43.02 43.13 1s3l s PHE 83 CO 0.84 -0.01 -0.04 0.42 0.70 0.00 0.00 175.22 177.13 1s3l s ILE 84 N -1.10 0.46 -0.20 0.64 -1.09 -0.44 -5.00 121.20 114.47 1s3l s ILE 84 Ca -0.04 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1s3l s ILE 84 Cb -0.09 -0.49 0.05 0.00 -1.58 0.00 0.00 42.46 40.36 1s3l s ILE 84 CO 0.01 0.20 -0.06 -0.55 -1.23 0.00 0.00 174.94 173.30 1s3l s SER 85 N 0.78 3.37 0.20 3.58 0.15 -1.26 -0.49 113.70 120.03 1s3l s SER 85 Ca -0.10 -0.92 -0.07 0.00 0.70 0.00 0.00 55.95 55.56 1s3l s SER 85 Cb -0.13 -1.09 -0.02 0.00 -1.71 0.00 0.00 66.02 63.07 1s3l s SER 85 CO -0.00 -0.20 0.28 0.68 1.20 0.00 0.00 173.24 175.21 1s3l s VAL 86 N 1.49 0.03 -0.07 4.45 -7.23 -0.99 -5.03 120.40 113.05 1s3l s VAL 86 Ca -0.02 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1s3l s VAL 86 Cb -0.17 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1s3l s VAL 86 CO -0.07 -0.12 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.69 1s3l s GLU 87 N -4.05 2.67 -0.03 4.82 2.12 -1.26 -0.37 118.70 122.60 1s3l s GLU 87 Ca 0.26 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 1s3l s GLU 87 Cb 0.03 -2.29 0.02 0.00 0.26 0.00 0.00 34.13 32.15 1s3l s GLU 87 CO 0.07 0.41 0.08 0.42 -0.54 0.00 0.00 175.26 175.70 1s3l s ILE 88 N -0.22 -0.02 -1.61 -3.70 1.01 -0.01 -4.85 121.20 111.79 1s3l s ILE 88 Ca -0.01 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1s3l s ILE 88 Cb -0.13 -0.13 0.06 0.00 0.01 0.00 0.00 42.46 42.26 1s3l s ILE 88 CO 0.03 0.04 0.24 0.47 0.00 0.00 0.00 174.94 175.72 1s3l n ASP 89 N 3.57 -0.12 -2.56 3.58 9.92 -1.26 0.24 116.55 129.92 1s3l n ASP 89 Ca -0.19 -1.21 -0.21 0.00 -0.53 0.00 0.00 54.79 52.65 1s3l n ASP 89 Cb 0.56 -1.89 0.01 0.00 -0.64 0.00 0.00 41.12 39.15 1s3l n ASP 89 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1s3l n ASP 90 N -2.80 -5.90 -4.16 -2.24 8.00 -1.26 -4.94 116.55 103.25 1s3l n ASP 90 Ca -0.20 -0.12 -0.27 0.00 0.71 0.00 0.00 54.79 54.90 1s3l n ASP 90 Cb 0.63 -4.84 -0.16 0.00 -0.02 0.00 0.00 41.12 36.73 1s3l n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s3l s LEU 91 N -6.11 1.95 -0.48 0.64 1.43 0.14 -5.10 118.68 111.14 1s3l s LEU 91 Ca 0.11 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1s3l s LEU 91 Cb -0.05 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1s3l s LEU 91 CO 0.14 0.17 0.81 -0.54 0.23 0.00 0.00 176.35 177.16 1s3l s LYS 92 N 0.01 3.36 -0.12 1.70 -0.14 -1.26 -0.83 119.74 122.47 1s3l s LYS 92 Ca -0.04 -0.21 -0.06 0.00 -1.36 0.00 0.00 55.97 54.30 1s3l s LYS 92 Cb -0.12 -3.98 -0.04 0.00 -1.68 0.00 0.00 37.83 32.01 1s3l s LYS 92 CO 0.03 -1.21 0.12 -0.06 -0.76 0.00 0.00 175.35 173.46 1s3l s PHE 93 N 3.39 3.52 -0.11 3.18 0.40 0.50 0.13 117.98 128.99 1s3l s PHE 93 Ca 0.29 0.47 0.03 0.00 -0.60 0.00 0.00 56.93 57.11 1s3l s PHE 93 Cb -0.13 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 1s3l s PHE 93 CO 0.21 0.69 -0.20 0.12 0.70 0.00 0.00 175.22 176.74 1s3l s PHE 94 N -0.99 2.65 -0.03 0.36 5.36 0.70 -2.34 117.98 123.69 1s3l s PHE 94 Ca 0.15 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.24 1s3l s PHE 94 Cb -0.12 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.80 1s3l s PHE 94 CO 0.04 -0.35 -0.13 0.42 -1.46 0.00 0.00 175.22 173.73 1s3l s ILE 95 N 0.34 1.10 0.21 3.12 1.01 0.36 -1.25 121.20 126.10 1s3l s ILE 95 Ca -0.16 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1s3l s ILE 95 Cb -0.17 -0.95 0.05 0.00 0.01 0.00 0.00 42.46 41.39 1s3l s ILE 95 CO 0.08 0.32 0.69 0.28 0.00 0.00 0.00 174.94 176.32 1s3l s THR 96 N -0.02 0.00 0.31 2.92 -1.32 -0.85 -1.33 115.64 115.34 1s3l s THR 96 Ca -0.01 -0.54 -0.20 0.00 -1.21 0.00 0.00 61.69 59.73 1s3l s THR 96 Cb -0.09 -1.56 -0.09 0.00 -1.51 0.00 0.00 72.50 69.25 1s3l s THR 96 CO 0.01 0.00 0.82 -2.28 -2.21 0.00 0.00 174.62 170.96 1s3l s HIS 97 N -3.78 3.54 -0.43 9.09 2.46 -1.26 -2.38 115.29 122.52 1s3l s HIS 97 Ca 0.07 1.49 -0.08 0.00 0.47 0.00 0.00 55.06 57.01 1s3l s HIS 97 Cb -0.04 -2.72 -0.08 0.00 -0.13 0.00 0.00 32.58 29.62 1s3l s HIS 97 CO -0.02 0.17 1.58 0.41 -2.47 0.00 0.00 174.74 174.42 1s3l n GLY 98 N 0.19 2.18 0.00 1.59 0.00 0.47 -4.70 105.19 104.92 1s3l n GLY 98 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1s3l n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s3l n HIS 99 N 5.43 0.00 -3.52 1.61 8.25 -1.26 -4.91 115.22 120.82 1s3l n HIS 99 Ca 0.27 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.36 1s3l n HIS 99 Cb 0.14 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1s3l n HIS 99 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1s3l s HIS 100 N 0.00 3.57 0.44 4.41 5.65 -1.26 -4.97 115.29 123.13 1s3l s HIS 100 Ca 0.00 0.77 0.22 0.00 0.25 0.00 0.00 55.06 56.31 1s3l s HIS 100 Cb 0.00 -2.32 1.29 0.00 -1.18 0.00 0.00 32.58 30.37 1s3l s HIS 100 CO 0.00 0.41 2.05 1.96 -0.65 0.00 0.00 174.74 178.51 1s3l h GLN 101 N 5.87 0.00 0.00 2.88 4.20 -1.99 -2.66 115.11 123.41 1s3l h GLN 101 Ca -0.46 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 1s3l h GLN 101 Cb 1.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1s3l h GLN 101 CO 0.69 0.14 -0.03 0.66 -0.67 0.00 0.00 178.83 179.63 1s3l h SER 102 N 0.00 0.00 0.72 1.46 4.64 -1.99 0.10 113.55 118.48 1s3l h SER 102 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1s3l h SER 102 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1s3l h SER 102 CO 0.02 0.03 -1.26 0.58 -0.87 0.00 0.00 176.83 175.32 1s3l h VAL 103 N 0.00 1.44 0.10 0.95 2.07 -1.90 -2.85 116.25 116.06 1s3l h VAL 103 Ca -0.00 -3.11 -0.01 0.00 0.82 0.00 0.00 66.70 64.41 1s3l h VAL 103 Cb 0.05 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1s3l h VAL 103 CO 0.00 0.87 -0.05 0.25 0.02 0.00 0.00 177.57 178.66 1s3l h LEU 104 N 0.04 -0.12 -0.27 2.57 5.85 -1.22 -1.96 115.31 120.20 1s3l h LEU 104 Ca -0.13 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1s3l h LEU 104 Cb 1.91 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 1s3l h LEU 104 CO 0.15 0.11 0.12 -0.33 -0.34 0.00 0.00 178.44 178.16 1s3l h GLU 105 N -0.35 0.26 -0.85 1.25 5.08 -0.94 -1.43 114.58 117.60 1s3l h GLU 105 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1s3l h GLU 105 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1s3l h GLU 105 CO 0.02 0.17 0.56 0.52 -1.00 0.00 0.00 179.01 179.29 1s3l h MET 106 N 0.27 1.12 -0.39 2.33 2.86 -1.52 0.75 114.93 120.34 1s3l h MET 106 Ca 0.11 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1s3l h MET 106 Cb 0.05 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 1s3l h MET 106 CO -0.09 0.74 0.19 0.00 1.06 0.00 0.00 176.91 178.81 1s3l h ALA 107 N 1.32 0.49 0.28 6.32 0.00 -0.97 0.30 119.26 126.99 1s3l h ALA 107 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1s3l h ALA 107 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1s3l h ALA 107 CO -0.07 -0.18 -0.13 0.82 0.00 0.00 0.00 179.25 179.69 1s3l h ILE 108 N 0.38 0.74 0.00 0.00 2.04 -0.82 -3.28 117.51 116.58 1s3l h ILE 108 Ca 0.17 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1s3l h ILE 108 Cb 0.09 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1s3l h ILE 108 CO -0.13 0.13 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1s3l n LYS 109 N -5.10 0.17 0.16 2.37 5.02 0.22 -3.07 118.16 117.92 1s3l n LYS 109 Ca -0.09 0.34 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 1s3l n LYS 109 Cb 0.26 -1.79 0.26 0.00 -0.02 0.00 0.00 35.03 33.74 1s3l n LYS 109 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1s3l h SER 110 N 0.00 0.00 0.00 4.39 4.64 -0.46 -3.46 113.55 118.65 1s3l h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s3l h SER 110 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1s3l h SER 110 CO 0.00 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1s3l n GLY 111 N -0.00 0.93 0.16 -0.77 0.00 -1.18 -4.90 105.19 99.44 1s3l n GLY 111 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1s3l n GLY 111 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s3l h LEU 112 N 0.00 0.00 -8.81 0.99 3.38 -1.86 -3.46 115.31 105.55 1s3l h LEU 112 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1s3l h LEU 112 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 1s3l h LEU 112 CO 0.00 0.00 -0.80 -0.31 0.09 0.00 0.00 178.44 177.42 1s3l s TYR 113 N -3.25 1.86 -0.14 1.13 2.02 -1.26 -4.88 117.35 112.82 1s3l s TYR 113 Ca 0.07 -0.45 0.17 0.00 -0.37 0.00 0.00 57.07 56.49 1s3l s TYR 113 Cb 0.09 -0.94 -0.24 0.00 -0.40 0.00 0.00 41.96 40.47 1s3l s TYR 113 CO 0.57 0.32 0.31 -0.25 -1.57 0.00 0.00 175.55 174.93 1s3l n ASP 114 N 0.46 0.28 -3.84 2.29 8.00 0.12 -4.74 116.55 119.12 1s3l n ASP 114 Ca -0.14 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 1s3l n ASP 114 Cb 0.56 0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 42.26 1s3l n ASP 114 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s3l s VAL 115 N -2.63 0.06 -0.21 2.53 1.01 -0.68 -0.55 120.40 119.92 1s3l s VAL 115 Ca -0.08 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1s3l s VAL 115 Cb 0.07 -0.12 0.05 0.00 0.00 0.00 0.00 36.38 36.38 1s3l s VAL 115 CO 0.83 0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 175.23 1s3l s VAL 116 N 0.55 1.63 -0.32 2.92 1.01 0.13 -0.22 120.40 126.10 1s3l s VAL 116 Ca -0.05 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 1s3l s VAL 116 Cb -0.07 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1s3l s VAL 116 CO -0.01 0.06 0.36 -0.63 0.00 0.00 0.00 175.10 174.88 1s3l s ILE 117 N 1.38 5.17 -0.64 2.22 -1.09 -0.38 -0.69 121.20 127.17 1s3l s ILE 117 Ca -0.03 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 1s3l s ILE 117 Cb -0.17 -3.78 0.19 0.00 -1.58 0.00 0.00 42.46 37.11 1s3l s ILE 117 CO -0.07 -0.02 0.53 0.00 -1.23 0.00 0.00 174.94 174.15 1s3l n TYR 118 N 5.37 2.66 -2.54 3.97 9.36 -0.08 -2.00 117.16 133.90 1s3l n TYR 118 Ca -0.09 -4.13 -0.41 0.00 3.32 0.00 0.00 57.90 56.59 1s3l n TYR 118 Cb 0.50 -0.49 -0.04 0.00 -0.63 0.00 0.00 39.34 38.68 1s3l n TYR 118 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1s3l s GLY 119 N -1.46 2.75 0.04 2.98 0.00 -1.00 -4.40 107.32 106.22 1s3l s GLY 119 Ca 0.29 0.75 -0.28 0.00 0.00 0.00 0.00 44.72 45.48 1s3l s GLY 119 CO -0.14 1.75 1.19 -2.38 0.00 0.00 0.00 173.10 173.52 1s3l s HIS 120 N 0.38 -0.05 0.10 1.90 -3.43 -1.26 0.18 115.29 113.11 1s3l s HIS 120 Ca 0.52 -0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 54.49 1s3l s HIS 120 Cb -0.27 0.58 -0.06 0.00 -1.43 0.00 0.00 32.58 31.39 1s3l s HIS 120 CO 0.31 -0.45 1.53 0.00 -2.00 0.00 0.00 174.74 174.13 1s3l h THR 121 N 2.00 1.26 -1.96 -5.38 1.03 -1.95 -3.21 112.91 104.70 1s3l h THR 121 Ca -0.28 -0.97 -0.43 0.00 -0.01 0.00 0.00 66.41 64.72 1s3l h THR 121 Cb 1.21 1.30 0.03 0.00 -1.07 0.00 0.00 68.15 69.62 1s3l h THR 121 CO 0.28 0.31 -0.18 -1.00 -0.01 0.00 0.00 175.52 174.92 1s3l s HIS 122 N -4.95 2.91 -1.10 0.00 3.76 -1.26 -3.88 115.29 110.77 1s3l s HIS 122 Ca -0.13 -0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1s3l s HIS 122 Cb 0.08 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.32 1s3l s HIS 122 CO 0.76 -0.50 0.92 0.39 -0.85 0.00 0.00 174.74 175.46 1s3l n GLU 123 N -2.00 -5.46 -2.03 1.40 1.02 -1.26 -4.90 120.64 107.41 1s3l n GLU 123 Ca 0.06 0.80 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 1s3l n GLU 123 Cb 0.59 -5.64 -0.02 0.00 -0.02 0.00 0.00 31.44 26.35 1s3l n GLU 123 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s3l s ARG 124 N -5.10 4.27 0.08 3.49 0.52 -1.26 -4.78 118.95 116.17 1s3l s ARG 124 Ca 0.08 2.28 -0.26 0.00 -0.52 0.00 0.00 55.73 57.31 1s3l s ARG 124 Cb -0.01 -3.12 0.08 0.00 0.52 0.00 0.00 34.95 32.42 1s3l s ARG 124 CO 0.69 -0.42 0.68 0.54 0.02 0.00 0.00 175.30 176.81 1s3l s VAL 125 N 0.11 0.00 -0.35 3.52 0.11 -0.76 -4.96 120.40 118.06 1s3l s VAL 125 Ca 0.60 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1s3l s VAL 125 Cb -0.41 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.59 1s3l s VAL 125 CO 0.42 0.00 0.35 0.12 -3.33 0.00 0.00 175.10 172.65 1s3l s PHE 126 N -3.08 -0.25 0.25 1.54 5.36 -1.25 -1.03 117.98 119.52 1s3l s PHE 126 Ca -0.00 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 1s3l s PHE 126 Cb -0.01 -0.46 -0.05 0.00 -0.34 0.00 0.00 43.02 42.16 1s3l s PHE 126 CO -0.08 -0.95 0.09 -1.83 -1.46 0.00 0.00 175.22 171.00 1s3l s GLU 127 N 1.58 1.38 -0.17 10.12 -1.05 -0.57 -4.99 118.70 125.01 1s3l s GLU 127 Ca 0.16 -1.74 0.01 0.00 -0.15 0.00 0.00 54.97 53.24 1s3l s GLU 127 Cb -0.16 -0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.32 1s3l s GLU 127 CO -0.09 -0.29 -0.15 -2.00 0.95 0.00 0.00 175.26 173.68 1s3l s GLU 128 N -4.03 2.48 -0.08 -4.83 2.12 -1.26 -0.30 118.70 112.80 1s3l s GLU 128 Ca 0.37 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 55.03 1s3l s GLU 128 Cb 0.08 -2.30 0.01 0.00 0.26 0.00 0.00 34.13 32.18 1s3l s GLU 128 CO 0.13 -0.26 -0.15 0.54 -0.54 0.00 0.00 175.26 174.98 1s3l s VAL 129 N 1.41 1.42 -1.51 3.70 0.11 -0.63 -4.73 120.40 120.16 1s3l s VAL 129 Ca 0.04 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.35 1s3l s VAL 129 Cb -0.13 -1.28 0.08 0.00 -1.53 0.00 0.00 36.38 33.52 1s3l s VAL 129 CO -0.11 0.42 0.89 0.47 -3.33 0.00 0.00 175.10 173.44 1s3l n ASP 130 N 3.88 -3.87 0.00 3.54 8.00 -1.26 -0.85 116.55 125.99 1s3l n ASP 130 Ca -0.21 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1s3l n ASP 130 Cb 0.52 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 1s3l n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s3l n ASP 131 N -2.86 -2.06 -4.48 -2.24 10.43 -1.26 -4.99 116.55 109.09 1s3l n ASP 131 Ca -0.02 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 56.98 1s3l n ASP 131 Cb 0.55 -1.24 -0.12 0.00 1.84 0.00 0.00 41.12 42.15 1s3l n ASP 131 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1s3l s VAL 132 N -2.27 4.22 -0.17 2.53 1.01 -0.03 -4.90 120.40 120.79 1s3l s VAL 132 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1s3l s VAL 132 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1s3l s VAL 132 CO 0.00 0.40 1.24 -0.76 0.00 0.00 0.00 175.10 175.98 1s3l s LEU 133 N 1.09 4.17 -0.22 3.92 1.43 0.29 -1.60 118.68 127.76 1s3l s LEU 133 Ca 0.03 1.66 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1s3l s LEU 133 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1s3l s LEU 133 CO 0.02 -0.75 0.06 -0.69 0.23 0.00 0.00 176.35 175.22 1s3l s VAL 134 N 3.47 4.43 -0.03 -1.59 1.01 0.59 0.21 120.40 128.49 1s3l s VAL 134 Ca 0.54 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1s3l s VAL 134 Cb -0.21 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1s3l s VAL 134 CO 0.14 0.38 -0.09 -0.63 0.00 0.00 0.00 175.10 174.90 1s3l s ILE 135 N 1.16 0.78 -0.17 2.22 1.01 0.14 -1.51 121.20 124.83 1s3l s ILE 135 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1s3l s ILE 135 Cb -0.14 -0.69 0.06 0.00 0.01 0.00 0.00 42.46 41.69 1s3l s ILE 135 CO 0.03 0.24 0.08 0.21 0.00 0.00 0.00 174.94 175.51 1s3l s ASN 136 N 0.19 2.43 0.23 3.58 2.47 -0.20 -0.90 114.94 122.74 1s3l s ASN 136 Ca -0.03 -0.64 0.24 0.00 0.42 0.00 0.00 52.86 52.85 1s3l s ASN 136 Cb -0.08 -0.30 0.92 0.00 -1.45 0.00 0.00 41.25 40.34 1s3l s ASN 136 CO 0.00 -0.34 1.72 -0.81 -3.72 0.00 0.00 177.10 173.96 1s3l n PRO 137 N 5.24 0.20 0.00 0.43 -0.04 -1.26 -1.84 135.00 137.73 1s3l n PRO 137 Ca -0.07 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1s3l n PRO 137 Cb 0.49 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1s3l n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3l n GLY 138 N 0.40 -2.41 3.71 0.55 0.00 -1.21 -4.36 105.19 101.87 1s3l n GLY 138 Ca 0.03 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1s3l n GLY 138 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s3l s GLU 139 N -0.50 4.53 0.13 1.61 -1.05 -1.25 -4.04 118.70 118.13 1s3l s GLU 139 Ca 0.00 1.55 -0.01 0.00 -0.15 0.00 0.00 54.97 56.37 1s3l s GLU 139 Cb 0.00 -3.41 -0.12 0.00 -0.44 0.00 0.00 34.13 30.16 1s3l s GLU 139 CO 0.00 -0.09 1.29 0.00 0.95 0.00 0.00 175.26 177.41 1s3l n GLY 142 N 0.30 0.93 0.18 0.00 0.00 -1.24 -4.73 105.19 100.63 1s3l n GLY 142 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1s3l n GLY 142 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s3l h TYR 143 N 0.00 0.88 0.00 1.61 0.05 -1.91 -0.65 116.97 116.95 1s3l h TYR 143 Ca -0.25 -0.47 -0.07 0.00 0.05 0.00 0.00 58.73 57.98 1s3l h TYR 143 Cb 0.89 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 1s3l h TYR 143 CO 0.33 1.30 -1.20 1.28 -1.05 0.00 0.00 178.16 178.83 1s3l n LEU 144 N -3.82 0.84 -0.00 3.88 4.77 -1.26 -4.35 117.00 117.06 1s3l n LEU 144 Ca -0.09 0.34 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1s3l n LEU 144 Cb 0.86 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1s3l n LEU 144 CO 0.54 -0.04 -0.44 0.35 -1.33 0.00 0.00 177.39 176.46 1s3l n THR 145 N -2.76 0.00 -0.71 -5.08 -2.24 -1.26 -4.99 114.28 97.23 1s3l n THR 145 Ca -0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1s3l n THR 145 Cb 0.67 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1s3l n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s3l n GLY 146 N 1.98 0.75 2.89 3.38 0.00 -0.25 -5.01 105.19 108.92 1s3l n GLY 146 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1s3l n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3l s ILE 147 N -2.72 1.47 -0.01 -0.61 1.01 -1.23 -4.97 121.20 114.14 1s3l s ILE 147 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 58.85 1s3l s ILE 147 Cb 0.00 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1s3l s ILE 147 CO 0.00 -0.39 0.97 -2.16 0.00 0.00 0.00 174.94 173.36 1s3l s PRO 148 N 1.36 4.54 0.06 2.79 0.04 -1.26 -4.43 135.00 138.11 1s3l s PRO 148 Ca 0.03 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 1s3l s PRO 148 Cb -0.18 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1s3l s PRO 148 CO -0.12 -0.07 0.20 0.95 0.04 0.00 0.00 177.00 178.00 1s3l s THR 149 N 1.09 0.12 0.31 1.26 -4.23 0.24 -0.80 115.64 113.64 1s3l s THR 149 Ca 0.51 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 60.10 1s3l s THR 149 Cb -0.21 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 1s3l s THR 149 CO 0.27 -0.54 0.27 0.27 -0.54 0.00 0.00 174.62 174.34 1s3l s ILE 150 N -3.02 0.00 0.08 2.99 -4.36 -0.72 -3.43 121.20 112.74 1s3l s ILE 150 Ca -0.02 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 1s3l s ILE 150 Cb 0.01 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1s3l s ILE 150 CO -0.06 0.00 0.24 -0.83 0.24 0.00 0.00 174.94 174.53 1s3l s GLY 151 N -3.34 -0.00 -0.07 6.27 0.00 0.29 -0.61 107.32 109.85 1s3l s GLY 151 Ca 0.40 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1s3l s GLY 151 CO 0.26 -0.61 -0.06 -0.42 0.00 0.00 0.00 173.10 172.26 1s3l s ILE 152 N -3.56 0.74 -0.16 0.90 1.01 -0.56 0.06 121.20 119.63 1s3l s ILE 152 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 1s3l s ILE 152 Cb 0.03 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1s3l s ILE 152 CO -0.10 0.29 -0.04 -0.22 0.00 0.00 0.00 174.94 174.87 1s3l s LEU 153 N 1.20 3.18 -0.48 2.97 2.96 -0.12 -1.22 118.68 127.17 1s3l s LEU 153 Ca -0.06 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.47 1s3l s LEU 153 Cb -0.14 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.82 1s3l s LEU 153 CO -0.02 0.14 0.68 -0.62 -1.32 0.00 0.00 176.35 175.22 1s3l s ASP 154 N 0.51 6.29 0.30 3.68 2.15 -0.16 0.05 116.67 129.49 1s3l s ASP 154 Ca -0.04 -0.52 -0.02 0.00 0.43 0.00 0.00 52.55 52.40 1s3l s ASP 154 Cb -0.14 -2.33 0.44 0.00 -0.30 0.00 0.00 42.92 40.59 1s3l s ASP 154 CO 0.03 -0.88 1.95 0.71 -0.17 0.00 0.00 175.17 176.81 1s3l h THR 155 N 5.89 1.21 -0.52 1.71 1.35 -1.70 -0.39 112.91 120.47 1s3l h THR 155 Ca -0.26 -0.43 0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1s3l h THR 155 Cb 1.09 0.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1s3l h THR 155 CO 0.94 0.22 0.34 -0.08 -0.25 0.00 0.00 175.52 176.69 1s3l h GLU 156 N 1.08 0.67 -0.01 4.72 4.81 -1.91 -3.16 114.58 120.77 1s3l h GLU 156 Ca 0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1s3l h GLU 156 Cb -0.08 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1s3l h GLU 156 CO -0.06 0.44 -0.48 1.17 -0.73 0.00 0.00 179.01 179.35 1s3l n LYS 157 N -4.74 1.13 -3.74 1.92 3.00 -1.14 -4.97 118.16 109.63 1s3l n LYS 157 Ca 0.03 -0.92 -0.27 0.00 -0.00 0.00 0.00 58.31 57.15 1s3l n LYS 157 Cb 0.03 -1.48 0.06 0.00 0.00 0.00 0.00 35.03 33.63 1s3l n LYS 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1s3l n LYS 158 N -0.13 -6.84 -4.94 1.64 5.02 -0.17 -4.99 118.16 107.75 1s3l n LYS 158 Ca 0.09 0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 56.80 1s3l n LYS 158 Cb 0.45 -5.70 -0.14 0.00 -0.02 0.00 0.00 35.03 29.62 1s3l n LYS 158 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1s3l s GLU 159 N -6.43 1.96 0.20 1.97 2.02 -1.16 -4.99 118.70 112.28 1s3l s GLU 159 Ca 0.60 -1.02 0.11 0.00 0.02 0.00 0.00 54.97 54.68 1s3l s GLU 159 Cb -0.28 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1s3l s GLU 159 CO 0.78 0.53 -0.22 -0.47 0.02 0.00 0.00 175.26 175.90 1s3l s TYR 160 N -0.78 2.32 -0.05 1.61 5.04 -1.26 -0.99 117.35 123.24 1s3l s TYR 160 Ca 0.12 -0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 54.38 1s3l s TYR 160 Cb -0.10 -1.13 0.03 0.00 0.35 0.00 0.00 41.96 41.11 1s3l s TYR 160 CO 0.02 0.53 0.08 0.50 -1.34 0.00 0.00 175.55 175.34 1s3l s ARG 161 N -2.80 -0.05 0.00 4.97 3.52 -0.36 -4.99 118.95 119.25 1s3l s ARG 161 Ca 0.22 0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 55.98 1s3l s ARG 161 Cb -0.08 -0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 32.83 1s3l s ARG 161 CO 0.11 -0.31 0.76 -1.21 -0.81 0.00 0.00 175.30 173.84 1s3l s GLU 162 N 2.09 4.48 -0.22 5.12 0.41 -1.26 -1.49 118.70 127.83 1s3l s GLU 162 Ca 0.03 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 1s3l s GLU 162 Cb -0.12 -3.40 0.03 0.00 -1.78 0.00 0.00 34.13 28.85 1s3l s GLU 162 CO -0.04 0.17 -0.13 0.42 -0.49 0.00 0.00 175.26 175.20 1s3l s ILE 163 N 0.35 2.44 -0.11 -1.63 1.09 0.22 -5.00 121.20 118.56 1s3l s ILE 163 Ca 0.40 -1.06 -0.28 0.00 -1.10 0.00 0.00 60.65 58.61 1s3l s ILE 163 Cb -0.20 -2.17 -0.02 0.00 -1.06 0.00 0.00 42.46 39.01 1s3l s ILE 163 CO 0.22 0.32 0.93 -0.69 -0.10 0.00 0.00 174.94 175.62 1s3l s VAL 164 N 1.28 4.84 -2.00 2.92 1.01 -1.26 -1.76 120.40 125.43 1s3l s VAL 164 Ca 0.01 1.88 0.31 0.00 0.00 0.00 0.00 61.98 64.18 1s3l s VAL 164 Cb -0.15 -4.24 0.87 0.00 0.00 0.00 0.00 36.38 32.85 1s3l s VAL 164 CO -0.08 0.05 2.15 0.18 0.00 0.00 0.00 175.10 177.40