#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4c s ILE 2 N 0.00 1.78 -0.06 3.17 1.01 -0.39 -4.94 121.20 121.77 1s4c s ILE 2 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1s4c s ILE 2 Cb 0.00 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1s4c s ILE 2 CO 0.00 0.50 -0.14 -0.63 0.00 0.00 0.00 174.94 174.67 1s4c s ILE 3 N -0.36 1.24 0.00 2.92 -1.09 -1.26 0.05 121.20 122.70 1s4c s ILE 3 Ca 0.04 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1s4c s ILE 3 Cb -0.10 -1.11 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 1s4c s ILE 3 CO 0.01 0.38 0.00 -0.24 -1.23 0.00 0.00 174.94 173.85 1s4c n SER 4 N 3.62 0.00 -3.80 3.58 2.88 0.14 -4.99 113.62 115.05 1s4c n SER 4 Ca -0.21 -0.59 -0.14 0.00 -1.33 0.00 0.00 58.87 56.60 1s4c n SER 4 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 1s4c n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1s4c s SER 5 N 0.23 0.01 0.57 -3.46 0.15 -1.26 -0.84 113.70 109.09 1s4c s SER 5 Ca 0.00 0.09 0.26 0.00 0.70 0.00 0.00 55.95 56.99 1s4c s SER 5 Cb 0.00 0.02 1.64 0.00 -1.71 0.00 0.00 66.02 65.97 1s4c s SER 5 CO 0.00 -0.09 2.21 -0.07 1.20 0.00 0.00 173.24 176.49 1s4c h LEU 6 N 6.83 0.00 -0.04 3.45 3.38 -1.17 -2.27 115.31 125.49 1s4c h LEU 6 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1s4c h LEU 6 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1s4c h LEU 6 CO 0.48 0.00 0.00 0.74 0.09 0.00 0.00 178.44 179.75 1s4c h THR 7 N 0.00 0.00 -3.48 0.22 2.02 -1.95 -3.45 112.91 106.28 1s4c h THR 7 Ca 0.01 -0.58 -0.52 0.00 0.77 0.00 0.00 66.41 66.10 1s4c h THR 7 Cb 0.07 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1s4c h THR 7 CO -0.00 0.00 0.48 0.20 0.37 0.00 0.00 175.52 176.57 1s4c s ASN 8 N -4.87 7.24 0.00 4.18 -0.87 -0.85 -4.91 114.94 114.86 1s4c s ASN 8 Ca 0.10 2.04 0.29 0.00 -1.57 0.00 0.00 52.86 53.72 1s4c s ASN 8 Cb 0.11 -2.60 1.31 0.00 -0.02 0.00 0.00 41.25 40.05 1s4c s ASN 8 CO 0.60 -0.27 1.95 -2.65 -2.57 0.00 0.00 177.10 174.17 1s4c n PRO 9 N 2.81 0.17 -0.32 -0.60 -0.02 -1.26 -2.26 135.00 133.52 1s4c n PRO 9 Ca 0.04 -0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.60 1s4c n PRO 9 Cb 0.47 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 1s4c n PRO 9 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s4c n ASN 10 N -1.41 3.39 0.10 2.55 3.02 -1.26 -4.75 115.26 116.90 1s4c n ASN 10 Ca 0.10 -2.89 0.09 0.00 -0.03 0.00 0.00 54.58 51.84 1s4c n ASN 10 Cb 0.30 -0.47 0.41 0.00 -0.61 0.00 0.00 39.78 39.42 1s4c n ASN 10 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1s4c n PHE 11 N -0.61 0.52 0.96 3.10 -1.74 -0.96 -2.55 117.46 116.19 1s4c n PHE 11 Ca 0.18 0.24 0.13 0.00 -0.56 0.00 0.00 57.45 57.45 1s4c n PHE 11 Cb 0.77 -0.88 0.47 0.00 1.52 0.00 0.00 39.48 41.35 1s4c n PHE 11 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1s4c n LYS 12 N -2.01 0.03 -1.68 3.97 5.02 -1.26 -4.66 118.16 117.58 1s4c n LYS 12 Ca 0.01 0.02 -0.45 0.00 -2.02 0.00 0.00 58.31 55.86 1s4c n LYS 12 Cb 0.11 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1s4c n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s4c n VAL 13 N -1.57 0.56 0.00 -0.18 0.31 -1.06 -2.10 118.33 114.29 1s4c n VAL 13 Ca 0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1s4c n VAL 13 Cb 0.35 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 1s4c n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s4c n GLY 14 N 4.35 3.20 3.75 2.92 0.00 -1.26 -5.01 105.19 113.13 1s4c n GLY 14 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1s4c n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4c s LEU 15 N 0.00 4.49 0.32 0.99 1.43 -0.89 -4.98 118.68 120.04 1s4c s LEU 15 Ca 0.00 2.34 -0.29 0.00 -1.03 0.00 0.00 54.13 55.15 1s4c s LEU 15 Cb 0.00 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.47 1s4c s LEU 15 CO 0.00 -0.30 1.38 -2.65 0.23 0.00 0.00 176.35 175.01 1s4c n PRO 16 N 1.61 2.27 -0.31 1.29 -0.02 -1.26 -4.75 135.00 133.83 1s4c n PRO 16 Ca 0.01 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.47 1s4c n PRO 16 Cb 0.44 -2.44 0.37 0.00 -0.02 0.00 0.00 33.50 31.84 1s4c n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s4c h LYS 17 N 3.18 0.23 -0.27 -0.52 1.57 -1.95 -0.02 116.57 118.79 1s4c h LYS 17 Ca -0.47 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.19 1s4c h LYS 17 Cb 1.27 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1s4c h LYS 17 CO 0.67 0.15 -0.29 -0.24 -0.57 0.00 0.00 179.45 179.17 1s4c h VAL 18 N 0.23 1.28 -0.17 0.50 3.04 -1.90 0.15 116.25 119.39 1s4c h VAL 18 Ca 0.63 -1.37 -0.18 0.00 -1.01 0.00 0.00 66.70 64.77 1s4c h VAL 18 Cb 1.36 1.39 0.01 0.00 -2.01 0.00 0.00 31.29 32.04 1s4c h VAL 18 CO -0.66 0.44 -0.60 0.40 -1.01 0.00 0.00 177.57 176.14 1s4c h ILE 19 N 0.48 1.31 -0.76 3.17 2.04 -1.41 -2.29 117.51 120.05 1s4c h ILE 19 Ca 0.06 -1.83 0.14 0.00 1.00 0.00 0.00 64.86 64.23 1s4c h ILE 19 Cb 0.75 1.96 -0.10 0.00 -0.74 0.00 0.00 36.82 38.70 1s4c h ILE 19 CO 0.06 0.57 0.30 0.00 0.00 0.00 0.00 178.15 179.09 1s4c h ALA 20 N 0.56 1.07 -0.52 1.87 0.00 -0.56 -1.88 119.26 119.80 1s4c h ALA 20 Ca -0.03 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1s4c h ALA 20 Cb 1.23 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1s4c h ALA 20 CO 0.13 -0.21 -0.10 0.93 0.00 0.00 0.00 179.25 179.99 1s4c h GLU 21 N 0.44 0.96 -0.39 0.00 5.08 -0.87 0.98 114.58 120.79 1s4c h GLU 21 Ca 0.42 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1s4c h GLU 21 Cb 0.64 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1s4c h GLU 21 CO -0.41 1.01 -0.09 -0.39 -1.00 0.00 0.00 179.01 178.14 1s4c h VAL 22 N 0.86 1.27 -1.00 3.13 -1.51 -1.05 -1.36 116.25 116.59 1s4c h VAL 22 Ca 0.14 -1.17 0.05 0.00 -1.23 0.00 0.00 66.70 64.49 1s4c h VAL 22 Cb 0.65 1.23 -0.06 0.00 -2.13 0.00 0.00 31.29 30.98 1s4c h VAL 22 CO 0.05 0.39 0.65 0.00 -1.23 0.00 0.00 177.57 177.43 1s4c h ASP 24 N 1.22 0.53 -0.30 0.00 3.32 -0.68 -1.63 116.42 118.89 1s4c h ASP 24 Ca 0.41 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1s4c h ASP 24 Cb 0.08 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1s4c h ASP 24 CO -0.15 0.68 -0.38 0.22 -1.72 0.00 0.00 179.24 177.90 1s4c h TYR 25 N 0.50 0.96 -0.02 4.55 3.20 -0.42 -3.13 116.97 122.60 1s4c h TYR 25 Ca 0.09 -0.31 -0.04 0.00 3.14 0.00 0.00 58.73 61.61 1s4c h TYR 25 Cb 0.51 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1s4c h TYR 25 CO 0.02 1.09 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.36 1s4c h LEU 26 N 0.55 0.03 -0.39 2.82 3.38 0.30 -2.09 115.31 119.91 1s4c h LEU 26 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s4c h LEU 26 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1s4c h LEU 26 CO 0.09 0.23 0.00 0.59 0.09 0.00 0.00 178.44 179.44 1s4c n ASN 27 N -4.29 0.30 -0.01 -0.43 3.02 -0.66 -1.95 115.26 111.24 1s4c n ASN 27 Ca -0.02 0.59 0.13 0.00 -0.03 0.00 0.00 54.58 55.24 1s4c n ASN 27 Cb 0.27 -0.64 0.46 0.00 -0.61 0.00 0.00 39.78 39.25 1s4c n ASN 27 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1s4c n THR 28 N -1.84 0.00 -4.00 3.41 -1.04 -0.78 -4.98 114.28 105.05 1s4c n THR 28 Ca 0.02 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 1s4c n THR 28 Cb 0.16 -0.15 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 1s4c n THR 28 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1s4c s LEU 29 N -2.97 4.19 -0.87 -4.42 1.02 -0.82 -5.01 118.68 109.81 1s4c s LEU 29 Ca 0.14 0.01 -0.22 0.00 0.02 0.00 0.00 54.13 54.08 1s4c s LEU 29 Cb 0.18 -2.74 0.08 0.00 0.02 0.00 0.00 46.19 43.74 1s4c s LEU 29 CO 0.60 -0.03 1.19 -0.62 0.02 0.00 0.00 176.35 177.51 1s4c s ASP 30 N -3.77 6.43 0.34 2.29 -1.08 -1.26 -4.85 116.67 114.77 1s4c s ASP 30 Ca 0.34 -1.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.00 1s4c s ASP 30 Cb -0.09 -2.47 0.63 0.00 -1.46 0.00 0.00 42.92 39.53 1s4c s ASP 30 CO 0.28 -1.36 1.81 -0.07 0.52 0.00 0.00 175.17 176.34 1s4c h LEU 31 N 11.56 0.19 -1.43 -1.34 4.07 -1.95 -2.55 115.31 123.86 1s4c h LEU 31 Ca 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1s4c h LEU 31 Cb 1.03 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 1s4c h LEU 31 CO 1.23 0.49 0.31 0.78 -1.08 0.00 0.00 178.44 180.17 1s4c h ASN 32 N 0.17 0.61 0.01 -0.43 2.35 -1.95 -2.99 115.58 113.35 1s4c h ASN 32 Ca 0.02 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s4c h ASN 32 Cb 0.62 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1s4c h ASN 32 CO 0.04 0.47 -0.84 0.00 -1.65 0.00 0.00 177.43 175.46 1s4c n ALA 33 N -2.46 4.39 -1.59 -0.83 0.00 -0.98 -4.96 120.51 114.08 1s4c n ALA 33 Ca 0.05 -0.61 -0.55 0.00 0.00 0.00 0.00 53.44 52.32 1s4c n ALA 33 Cb 0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 1s4c n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4c n LEU 34 N -1.07 1.26 -4.77 0.00 4.77 -1.09 -4.92 117.00 111.19 1s4c n LEU 34 Ca 0.06 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.78 1s4c n LEU 34 Cb 0.37 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1s4c n LEU 34 CO 0.39 -1.20 0.81 -1.61 -1.33 0.00 0.00 177.39 174.45 1s4c s GLU 35 N 0.84 4.32 0.49 3.23 2.02 -1.26 -4.99 118.70 123.36 1s4c s GLU 35 Ca 0.89 1.78 -0.22 0.00 0.02 0.00 0.00 54.97 57.44 1s4c s GLU 35 Cb -1.08 -2.87 -0.08 0.00 0.10 0.00 0.00 34.13 30.20 1s4c s GLU 35 CO 0.54 -0.07 1.01 0.09 0.02 0.00 0.00 175.26 176.85 1s4c n ASN 36 N 0.52 1.18 0.00 -0.19 3.02 -1.26 -4.72 115.26 113.81 1s4c n ASN 36 Ca 0.02 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1s4c n ASN 36 Cb 0.46 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 1s4c n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s4c n GLY 37 N 1.19 0.35 3.78 7.41 0.00 -0.77 -4.95 105.19 112.20 1s4c n GLY 37 Ca 0.11 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1s4c n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4c s ARG 38 N -0.23 4.47 -0.05 1.61 3.52 -1.26 -0.46 118.95 126.55 1s4c s ARG 38 Ca 0.00 1.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 1s4c s ARG 38 Cb 0.00 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1s4c s ARG 38 CO 0.00 0.53 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.98 1s4c s HIS 39 N -0.92 0.69 0.21 5.12 3.76 0.77 -4.98 115.29 119.93 1s4c s HIS 39 Ca 0.35 -0.18 -0.10 0.00 -0.15 0.00 0.00 55.06 54.97 1s4c s HIS 39 Cb -0.22 -0.67 -0.07 0.00 1.11 0.00 0.00 32.58 32.74 1s4c s HIS 39 CO 0.24 -0.21 0.53 -0.51 -0.85 0.00 0.00 174.74 173.94 1s4c s ASP 40 N 1.12 6.65 0.00 1.40 1.01 -1.26 -0.39 116.67 125.20 1s4c s ASP 40 Ca -0.08 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1s4c s ASP 40 Cb -0.14 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1s4c s ASP 40 CO -0.01 -0.03 0.00 -0.38 0.21 0.00 0.00 175.17 174.95 1s4c n ILE 41 N 0.04 0.00 -4.34 0.77 5.41 0.03 -4.93 119.36 116.34 1s4c n ILE 41 Ca -0.01 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 1s4c n ILE 41 Cb 0.52 -0.50 -0.08 0.00 -0.71 0.00 0.00 39.64 38.87 1s4c n ILE 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1s4c s ASN 42 N -3.67 1.86 0.26 4.38 0.01 -0.76 -4.95 114.94 112.07 1s4c s ASN 42 Ca 0.00 -1.70 -0.02 0.00 -0.71 0.00 0.00 52.86 50.43 1s4c s ASN 42 Cb 0.00 0.53 0.51 0.00 0.41 0.00 0.00 41.25 42.69 1s4c s ASN 42 CO 0.00 -1.00 1.74 0.44 -1.51 0.00 0.00 177.10 176.77 1s4c h ASP 43 N 2.08 0.41 0.29 -1.22 5.19 -2.04 -3.31 116.42 117.81 1s4c h ASP 43 Ca -0.29 0.10 -0.33 0.00 -0.62 0.00 0.00 57.03 55.89 1s4c h ASP 43 Cb 1.25 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.75 1s4c h ASP 43 CO 0.44 0.16 -1.96 0.00 -3.12 0.00 0.00 179.24 174.75 1s4c n GLN 44 N -4.94 0.67 -4.99 3.56 1.13 -1.26 -4.96 117.38 106.59 1s4c n GLN 44 Ca 0.16 0.21 -0.32 0.00 -1.94 0.00 0.00 57.00 55.11 1s4c n GLN 44 Cb 0.44 -1.70 -0.15 0.00 0.11 0.00 0.00 30.24 28.93 1s4c n GLN 44 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1s4c s ILE 45 N -2.56 2.63 0.41 5.09 1.01 -1.25 -4.59 121.20 121.94 1s4c s ILE 45 Ca -0.11 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1s4c s ILE 45 Cb 0.07 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1s4c s ILE 45 CO 0.80 0.55 0.15 -0.72 0.00 0.00 0.00 174.94 175.72 1s4c s TYR 46 N 0.12 1.78 0.03 3.97 1.13 -1.18 -0.79 117.35 122.41 1s4c s TYR 46 Ca -0.09 -1.35 -0.08 0.00 -1.41 0.00 0.00 57.07 54.14 1s4c s TYR 46 Cb -0.15 -1.10 -0.00 0.00 -1.10 0.00 0.00 41.96 39.60 1s4c s TYR 46 CO 0.06 -0.39 0.15 0.00 -2.51 0.00 0.00 175.55 172.86 1s4c s MET 47 N -3.66 0.62 -0.12 -3.49 0.23 0.48 -1.09 119.30 112.27 1s4c s MET 47 Ca 0.25 -0.62 -0.01 0.00 -1.03 0.00 0.00 55.69 54.27 1s4c s MET 47 Cb 0.02 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 1s4c s MET 47 CO 0.16 -0.17 -0.07 -0.80 -2.03 0.00 0.00 175.02 172.12 1s4c s ASN 48 N -1.96 4.56 0.10 -1.18 0.01 -0.60 -0.17 114.94 115.71 1s4c s ASN 48 Ca -0.07 -0.13 0.10 0.00 -0.71 0.00 0.00 52.86 52.05 1s4c s ASN 48 Cb -0.02 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 40.10 1s4c s ASN 48 CO -0.03 0.24 -0.27 0.54 -1.51 0.00 0.00 177.10 176.08 1s4c s VAL 49 N -0.10 2.21 0.19 1.60 0.11 0.39 -0.59 120.40 124.22 1s4c s VAL 49 Ca 0.01 -1.64 -0.19 0.00 -2.93 0.00 0.00 61.98 57.22 1s4c s VAL 49 Cb -0.13 -1.94 0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1s4c s VAL 49 CO 0.03 0.17 0.56 -0.04 -3.33 0.00 0.00 175.10 172.49 1s4c s MET 50 N -1.81 1.37 -0.69 1.54 1.00 -0.19 -1.84 119.30 118.68 1s4c s MET 50 Ca 0.13 -0.75 0.05 0.00 0.00 0.00 0.00 55.69 55.12 1s4c s MET 50 Cb -0.10 0.55 0.27 0.00 0.00 0.00 0.00 34.83 35.55 1s4c s MET 50 CO 0.05 -0.59 0.87 0.39 0.00 0.00 0.00 175.02 175.74 1s4c n GLU 51 N -0.36 2.88 -1.29 2.03 1.02 -1.26 -1.23 120.64 122.43 1s4c n GLU 51 Ca -0.12 -4.69 -0.30 0.00 -0.02 0.00 0.00 57.16 52.03 1s4c n GLU 51 Cb 0.63 -2.29 0.21 0.00 -0.02 0.00 0.00 31.44 29.97 1s4c n GLU 51 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1s4c s PRO 52 N -2.67 -0.50 -0.10 3.49 0.04 -1.22 -4.68 135.00 129.35 1s4c s PRO 52 Ca 0.40 -0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 1s4c s PRO 52 Cb 0.15 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 1s4c s PRO 52 CO -0.01 -3.24 -0.06 -1.21 0.04 0.00 0.00 177.00 172.52 1s4c s GLU 53 N -5.44 3.14 0.26 4.56 2.02 -1.26 -2.07 118.70 119.90 1s4c s GLU 53 Ca 0.70 -0.55 -0.31 0.00 0.02 0.00 0.00 54.97 54.84 1s4c s GLU 53 Cb -0.10 -2.71 -0.13 0.00 0.10 0.00 0.00 34.13 31.29 1s4c s GLU 53 CO 0.55 0.48 1.48 0.25 0.02 0.00 0.00 175.26 178.04 1s4c n THR 54 N 2.79 0.95 -4.31 3.63 -2.24 -0.21 -4.90 114.28 109.99 1s4c n THR 54 Ca -0.18 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 1s4c n THR 54 Cb 0.53 -1.65 -0.12 0.00 -2.10 0.00 0.00 70.33 66.99 1s4c n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s4c s ALA 55 N -0.01 1.92 0.29 6.98 0.00 0.78 -3.77 121.76 127.95 1s4c s ALA 55 Ca 0.67 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 1s4c s ALA 55 Cb -0.60 -0.24 -0.12 0.00 0.00 0.00 0.00 23.12 22.16 1s4c s ALA 55 CO 0.49 0.35 1.61 -0.85 0.00 0.00 0.00 175.76 177.36 1s4c n GLU 56 N 0.87 2.72 -0.34 0.00 0.28 -1.26 -2.34 120.64 120.56 1s4c n GLU 56 Ca -0.18 0.97 0.01 0.00 -0.16 0.00 0.00 57.16 57.80 1s4c n GLU 56 Cb 0.54 -2.76 0.08 0.00 1.43 0.00 0.00 31.44 30.73 1s4c n GLU 56 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1s4c h PRO 57 N 5.00 -0.02 0.00 3.44 0.11 -1.94 -0.75 132.00 137.84 1s4c h PRO 57 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s4c h PRO 57 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1s4c h PRO 57 CO 0.81 -0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 1s4c n SER 58 N -5.52 0.00 0.05 -2.05 3.41 -1.26 -2.37 113.62 105.88 1s4c n SER 58 Ca 0.12 -0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 1s4c n SER 58 Cb 0.43 -0.19 0.28 0.00 -0.26 0.00 0.00 64.21 64.47 1s4c n SER 58 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s4c n SER 59 N -1.19 0.62 -4.21 4.04 3.41 -0.29 -4.95 113.62 111.05 1s4c n SER 59 Ca 0.08 0.20 -0.13 0.00 -0.26 0.00 0.00 58.87 58.77 1s4c n SER 59 Cb 0.09 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 1s4c n SER 59 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1s4c s LYS 60 N -3.11 0.96 -0.01 4.33 -2.85 -1.00 -5.06 119.74 113.01 1s4c s LYS 60 Ca 0.09 -1.40 -0.09 0.00 -1.00 0.00 0.00 55.97 53.57 1s4c s LYS 60 Cb 0.14 -0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 35.44 1s4c s LYS 60 CO 0.67 0.03 0.29 0.15 0.10 0.00 0.00 175.35 176.59 1s4c s LYS 61 N -3.79 3.64 0.84 1.78 3.01 -1.26 -4.93 119.74 119.04 1s4c s LYS 61 Ca 0.15 0.04 -0.10 0.00 -1.01 0.00 0.00 55.97 55.05 1s4c s LYS 61 Cb 0.04 -3.11 0.10 0.00 -1.01 0.00 0.00 37.83 33.85 1s4c s LYS 61 CO -0.02 0.67 1.11 0.00 0.51 0.00 0.00 175.35 177.62 1s4c s ALA 62 N -1.23 1.86 0.12 5.17 0.00 -0.56 -4.84 121.76 122.29 1s4c s ALA 62 Ca 0.25 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1s4c s ALA 62 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1s4c s ALA 62 CO 0.14 -2.25 0.01 -1.83 0.00 0.00 0.00 175.76 171.83 1s4c s GLU 63 N -4.79 0.90 0.28 0.00 -1.05 -0.18 -1.84 118.70 112.02 1s4c s GLU 63 Ca 0.64 -1.41 -0.06 0.00 -0.15 0.00 0.00 54.97 53.99 1s4c s GLU 63 Cb -0.20 0.04 -0.01 0.00 -0.44 0.00 0.00 34.13 33.53 1s4c s GLU 63 CO 0.57 -0.16 0.42 -0.48 0.95 0.00 0.00 175.26 176.56 1s4c s LEU 64 N -3.05 0.76 0.07 1.83 0.05 -1.02 -1.19 118.68 116.13 1s4c s LEU 64 Ca 0.19 -1.25 -0.04 0.00 0.05 0.00 0.00 54.13 53.08 1s4c s LEU 64 Cb 0.07 1.42 -0.03 0.00 -2.05 0.00 0.00 46.19 45.60 1s4c s LEU 64 CO -0.01 -1.17 0.05 -1.00 -0.55 0.00 0.00 176.35 173.68 1s4c s HIS 65 N -3.60 0.40 -0.12 3.48 3.76 -1.26 -1.93 115.29 116.02 1s4c s HIS 65 Ca 0.29 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 1s4c s HIS 65 Cb 0.01 -0.27 -0.09 0.00 1.11 0.00 0.00 32.58 33.33 1s4c s HIS 65 CO 0.15 -0.45 -0.08 0.72 -0.85 0.00 0.00 174.74 174.23 1s4c n HIS 66 N 0.04 0.00 -0.09 1.40 -0.00 -1.26 -1.68 115.22 113.62 1s4c n HIS 66 Ca -0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.48 1s4c n HIS 66 Cb 0.62 -0.49 -0.14 0.00 -0.00 0.00 0.00 29.99 29.98 1s4c n HIS 66 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1s4c n GLU 67 N -2.76 0.99 -4.12 -0.41 1.02 -1.26 -4.80 120.64 109.31 1s4c n GLU 67 Ca -0.21 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.64 1s4c n GLU 67 Cb 0.76 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.64 1s4c n GLU 67 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s4c s TYR 68 N -2.44 3.01 0.37 -0.32 1.51 -1.26 -1.56 117.35 116.66 1s4c s TYR 68 Ca -0.12 -0.02 -0.14 0.00 -1.01 0.00 0.00 57.07 55.78 1s4c s TYR 68 Cb 0.06 -1.54 -0.08 0.00 -0.11 0.00 0.00 41.96 40.28 1s4c s TYR 68 CO 0.71 0.49 0.78 -0.48 -1.11 0.00 0.00 175.55 175.93 1s4c s LEU 69 N -2.36 3.96 -0.13 -1.29 0.05 0.17 -4.17 118.68 114.92 1s4c s LEU 69 Ca 0.26 1.29 -0.06 0.00 0.05 0.00 0.00 54.13 55.67 1s4c s LEU 69 Cb -0.12 -4.12 -0.04 0.00 -2.05 0.00 0.00 46.19 39.86 1s4c s LEU 69 CO 0.19 -0.30 0.10 -1.81 -0.55 0.00 0.00 176.35 173.98 1s4c s ASP 70 N -2.56 6.03 -0.33 1.48 1.01 -0.69 -1.61 116.67 120.00 1s4c s ASP 70 Ca 0.54 0.33 -0.04 0.00 0.71 0.00 0.00 52.55 54.09 1s4c s ASP 70 Cb -0.10 -1.93 0.05 0.00 1.01 0.00 0.00 42.92 41.96 1s4c s ASP 70 CO 0.22 0.36 0.07 -0.69 0.21 0.00 0.00 175.17 175.34 1s4c s VAL 71 N -0.71 3.39 -0.14 -1.27 1.01 0.22 -1.87 120.40 121.02 1s4c s VAL 71 Ca 0.13 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1s4c s VAL 71 Cb -0.12 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1s4c s VAL 71 CO 0.03 -0.21 0.25 -1.10 0.00 0.00 0.00 175.10 174.06 1s4c s GLN 72 N 1.31 4.03 -0.02 2.72 -0.21 -0.50 0.08 119.66 127.06 1s4c s GLN 72 Ca -0.02 0.04 0.04 0.00 0.02 0.00 0.00 55.36 55.43 1s4c s GLN 72 Cb -0.20 -3.35 -0.00 0.00 1.00 0.00 0.00 33.01 30.46 1s4c s GLN 72 CO 0.00 0.43 -0.13 0.14 -2.12 0.00 0.00 175.29 173.61 1s4c s VAL 73 N -0.09 1.04 0.05 1.09 -7.23 0.03 -0.97 120.40 114.32 1s4c s VAL 73 Ca 0.16 -0.52 -0.23 0.00 -1.81 0.00 0.00 61.98 59.57 1s4c s VAL 73 Cb -0.13 -0.89 -0.06 0.00 0.56 0.00 0.00 36.38 35.86 1s4c s VAL 73 CO 0.04 0.31 0.70 -0.22 -0.31 0.00 0.00 175.10 175.62 1s4c s LEU 74 N -0.03 4.46 -0.16 1.32 1.98 -1.08 -1.16 118.68 124.00 1s4c s LEU 74 Ca -0.00 1.37 -0.07 0.00 -2.89 0.00 0.00 54.13 52.54 1s4c s LEU 74 Cb -0.08 -3.12 -0.07 0.00 0.66 0.00 0.00 46.19 43.58 1s4c s LEU 74 CO 0.00 0.08 -0.20 -0.38 -1.89 0.00 0.00 176.35 173.97 1s4c n ILE 75 N 2.55 0.90 -4.11 6.68 5.41 0.57 -0.60 119.36 130.77 1s4c n ILE 75 Ca -0.05 -0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.31 1s4c n ILE 75 Cb 0.50 -1.65 -0.14 0.00 -0.71 0.00 0.00 39.64 37.65 1s4c n ILE 75 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1s4c s ARG 76 N -2.30 0.37 0.65 0.38 3.52 -0.60 -4.61 118.95 116.36 1s4c s ARG 76 Ca -0.23 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1s4c s ARG 76 Cb 0.08 -0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.14 1s4c s ARG 76 CO 0.30 0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1s4c n GLY 77 N 2.84 -0.57 3.30 8.12 0.00 -1.26 -1.71 105.19 115.90 1s4c n GLY 77 Ca -0.14 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1s4c n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4c s THR 78 N 0.00 0.00 -0.07 2.61 2.01 -1.26 -4.08 115.64 114.85 1s4c s THR 78 Ca 0.00 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 1s4c s THR 78 Cb 0.00 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1s4c s THR 78 CO 0.00 -0.00 0.18 -0.70 -0.69 0.00 0.00 174.62 173.40 1s4c s GLU 79 N 0.19 0.21 -0.11 4.92 2.12 -0.56 -4.98 118.70 120.49 1s4c s GLU 79 Ca -0.00 0.26 -0.06 0.00 0.36 0.00 0.00 54.97 55.53 1s4c s GLU 79 Cb -0.03 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 1s4c s GLU 79 CO 0.01 -0.03 0.10 -0.80 -0.54 0.00 0.00 175.26 174.00 1s4c s ASN 80 N 0.14 6.07 -0.11 -1.70 0.01 -1.19 0.45 114.94 118.60 1s4c s ASN 80 Ca -0.00 0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 52.52 1s4c s ASN 80 Cb -0.02 -1.90 0.03 0.00 0.41 0.00 0.00 41.25 39.77 1s4c s ASN 80 CO -0.00 0.40 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.31 1s4c s ILE 81 N -0.99 0.83 0.26 0.60 1.01 -0.74 -1.02 121.20 121.16 1s4c s ILE 81 Ca 0.15 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 1s4c s ILE 81 Cb -0.12 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 1s4c s ILE 81 CO 0.04 0.27 0.97 -1.61 0.00 0.00 0.00 174.94 174.60 1s4c s GLU 82 N 1.78 4.77 0.07 2.79 2.02 -0.97 -0.17 118.70 128.99 1s4c s GLU 82 Ca 0.04 1.52 -0.04 0.00 0.02 0.00 0.00 54.97 56.51 1s4c s GLU 82 Cb -0.13 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1s4c s GLU 82 CO -0.07 0.42 0.06 0.14 0.02 0.00 0.00 175.26 175.83 1s4c s VAL 83 N -1.24 0.18 -0.03 2.63 -7.23 -0.19 -0.76 120.40 113.76 1s4c s VAL 83 Ca 0.43 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1s4c s VAL 83 Cb -0.26 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1s4c s VAL 83 CO 0.32 -0.81 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.39 1s4c s GLY 84 N -2.91 0.49 0.00 2.32 0.00 -1.13 -1.04 107.32 105.05 1s4c s GLY 84 Ca 0.08 -0.27 0.22 0.00 0.00 0.00 0.00 44.72 44.75 1s4c s GLY 84 CO -0.09 -0.00 0.94 0.00 0.00 0.00 0.00 173.10 173.95 1s4c n ALA 85 N 3.39 4.33 -2.32 3.20 0.00 -1.26 -4.23 120.51 123.62 1s4c n ALA 85 Ca -0.19 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 1s4c n ALA 85 Cb 0.54 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1s4c n ALA 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4c s THR 86 N -3.06 4.81 0.06 0.00 -4.23 -1.26 -5.01 115.64 106.94 1s4c s THR 86 Ca 0.07 0.93 -0.36 0.00 -1.18 0.00 0.00 61.69 61.15 1s4c s THR 86 Cb 0.16 -3.77 -0.15 0.00 1.34 0.00 0.00 72.50 70.08 1s4c s THR 86 CO 0.85 0.28 1.53 0.00 -0.54 0.00 0.00 174.62 176.74 1s4c n TYR 87 N 0.91 1.95 -1.09 3.99 9.36 -1.26 -4.89 117.16 126.13 1s4c n TYR 87 Ca -0.06 0.42 -0.30 0.00 3.32 0.00 0.00 57.90 61.28 1s4c n TYR 87 Cb 0.52 -2.46 0.14 0.00 -0.63 0.00 0.00 39.34 36.91 1s4c n TYR 87 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1s4c s PRO 88 N 1.37 1.26 -0.61 2.98 0.04 -1.26 -4.95 135.00 133.83 1s4c s PRO 88 Ca 0.85 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 1s4c s PRO 88 Cb -0.83 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 31.99 1s4c s PRO 88 CO 0.46 -2.29 0.81 1.21 0.04 0.00 0.00 177.00 177.24 1s4c s ASN 89 N -3.24 6.19 0.42 6.66 3.84 -1.26 -4.92 114.94 122.63 1s4c s ASN 89 Ca 0.64 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.67 1s4c s ASN 89 Cb -0.19 -2.35 0.89 0.00 -0.55 0.00 0.00 41.25 39.04 1s4c s ASN 89 CO 0.58 -1.24 1.92 -0.07 -2.79 0.00 0.00 177.10 175.50 1s4c h LEU 90 N 10.56 0.00 -1.91 3.21 3.38 -1.98 -2.38 115.31 126.19 1s4c h LEU 90 Ca -0.29 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1s4c h LEU 90 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1s4c h LEU 90 CO 1.12 0.26 0.41 0.77 0.09 0.00 0.00 178.44 181.09 1s4c h SER 91 N 0.00 0.00 -0.07 -0.43 4.64 -2.00 0.25 113.55 115.93 1s4c h SER 91 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s4c h SER 91 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1s4c h SER 91 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1s4c n LYS 92 N -3.18 2.03 -3.74 4.77 5.02 -0.89 -4.96 118.16 117.20 1s4c n LYS 92 Ca 0.02 -1.50 -0.35 0.00 -2.02 0.00 0.00 58.31 54.45 1s4c n LYS 92 Cb 0.50 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1s4c n LYS 92 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s4c s TYR 93 N -1.93 3.60 1.33 2.13 1.51 0.87 -4.76 117.35 120.10 1s4c s TYR 93 Ca 0.33 0.62 -0.20 0.00 -1.01 0.00 0.00 57.07 56.82 1s4c s TYR 93 Cb 0.20 -2.02 0.32 0.00 -0.11 0.00 0.00 41.96 40.35 1s4c s TYR 93 CO 0.31 0.63 0.78 0.39 -1.11 0.00 0.00 175.55 176.56 1s4c n GLU 94 N 1.30 -3.78 -2.00 -0.62 1.02 0.74 -4.92 120.64 112.39 1s4c n GLU 94 Ca -0.13 -1.11 -0.36 0.00 -0.02 0.00 0.00 57.16 55.55 1s4c n GLU 94 Cb 0.53 -1.91 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1s4c n GLU 94 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s4c s ASP 95 N -2.67 5.18 0.13 1.62 1.01 -1.26 -4.53 116.67 116.14 1s4c s ASP 95 Ca 0.63 2.36 -0.30 0.00 0.71 0.00 0.00 52.55 55.95 1s4c s ASP 95 Cb -0.15 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.11 1s4c s ASP 95 CO 0.57 -1.60 1.24 -0.47 0.21 0.00 0.00 175.17 175.11 1s4c s TYR 96 N -1.64 3.39 -0.46 4.23 5.04 -1.26 -4.60 117.35 122.04 1s4c s TYR 96 Ca 0.77 1.29 -0.19 0.00 -2.44 0.00 0.00 57.07 56.50 1s4c s TYR 96 Cb -0.30 -3.48 0.04 0.00 0.35 0.00 0.00 41.96 38.57 1s4c s TYR 96 CO 0.33 -1.46 0.58 1.21 -1.34 0.00 0.00 175.55 174.87 1s4c s ASN 97 N 0.62 6.25 0.32 4.32 3.84 0.32 -4.95 114.94 125.66 1s4c s ASN 97 Ca 0.57 -0.67 0.16 0.00 0.21 0.00 0.00 52.86 53.13 1s4c s ASN 97 Cb -0.32 -2.28 0.40 0.00 -0.55 0.00 0.00 41.25 38.49 1s4c s ASN 97 CO 0.33 -0.77 1.60 -0.08 -2.79 0.00 0.00 177.10 175.39 1s4c h GLU 98 N 8.89 0.00 -0.01 0.43 4.81 -1.93 0.23 114.58 126.99 1s4c h GLU 98 Ca -0.27 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.76 1s4c h GLU 98 Cb 1.10 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.50 1s4c h GLU 98 CO 0.90 0.47 -0.79 0.00 -0.73 0.00 0.00 179.01 178.86 1s4c h ALA 99 N 1.53 0.11 -0.12 2.92 0.00 -1.96 -3.25 119.26 118.47 1s4c h ALA 99 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1s4c h ALA 99 Cb 1.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s4c h ALA 99 CO 0.06 0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 1s4c n ASP 100 N -4.06 2.39 -3.38 0.00 9.92 -1.23 -5.01 116.55 115.19 1s4c n ASP 100 Ca -0.10 -1.80 -0.15 0.00 -0.53 0.00 0.00 54.79 52.21 1s4c n ASP 100 Cb 0.76 -0.07 0.02 0.00 -0.64 0.00 0.00 41.12 41.20 1s4c n ASP 100 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s4c n ASP 101 N 0.83 -6.45 -3.54 -2.24 2.03 0.73 -5.02 116.55 102.90 1s4c n ASP 101 Ca 0.17 -0.59 -0.11 0.00 0.52 0.00 0.00 54.79 54.78 1s4c n ASP 101 Cb 0.48 -4.17 -0.02 0.00 -0.72 0.00 0.00 41.12 36.68 1s4c n ASP 101 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1s4c s TYR 102 N -3.19 -0.44 0.06 -0.67 -0.85 -0.74 -4.30 117.35 107.21 1s4c s TYR 102 Ca 0.21 0.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.95 1s4c s TYR 102 Cb -0.06 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 1s4c s TYR 102 CO 0.80 -0.94 -0.09 -0.65 -1.52 0.00 0.00 175.55 173.15 1s4c s GLN 103 N -3.77 0.62 0.21 -3.49 -0.21 -0.81 0.12 119.66 112.33 1s4c s GLN 103 Ca 0.04 -0.87 0.09 0.00 0.02 0.00 0.00 55.36 54.64 1s4c s GLN 103 Cb -0.02 -0.38 -0.04 0.00 1.00 0.00 0.00 33.01 33.56 1s4c s GLN 103 CO -0.08 0.07 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.60 1s4c s LEU 104 N -1.81 3.09 -0.14 2.90 2.01 -1.26 -2.42 118.68 121.05 1s4c s LEU 104 Ca -0.06 -0.59 -0.16 0.00 0.01 0.00 0.00 54.13 53.34 1s4c s LEU 104 Cb -0.08 -1.70 0.04 0.00 0.01 0.00 0.00 46.19 44.46 1s4c s LEU 104 CO 0.00 0.06 0.43 0.00 1.01 0.00 0.00 176.35 177.85 1s4c h ALA 106 N 5.14 1.72 -2.51 0.00 0.00 -1.88 -1.48 119.26 120.25 1s4c h ALA 106 Ca -0.27 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1s4c h ALA 106 Cb 1.18 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1s4c h ALA 106 CO 0.26 0.13 -0.42 -0.51 0.00 0.00 0.00 179.25 178.72 1s4c s ASP 107 N -6.09 0.15 -0.18 0.00 1.01 -1.26 -4.47 116.67 105.83 1s4c s ASP 107 Ca -0.10 -0.82 -0.08 0.00 0.71 0.00 0.00 52.55 52.26 1s4c s ASP 107 Cb 0.20 0.35 -0.04 0.00 1.01 0.00 0.00 42.92 44.44 1s4c s ASP 107 CO 0.78 -0.77 0.08 -0.63 0.21 0.00 0.00 175.17 174.84 1s4c s ILE 108 N -3.92 4.97 0.30 0.77 1.01 -1.26 -4.97 121.20 118.10 1s4c s ILE 108 Ca 0.11 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 1s4c s ILE 108 Cb 0.05 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 1s4c s ILE 108 CO -0.06 0.46 0.99 -1.81 0.00 0.00 0.00 174.94 174.52 1s4c s ASP 109 N 0.30 7.33 -1.33 3.58 1.01 -1.26 -3.85 116.67 122.45 1s4c s ASP 109 Ca 0.05 1.98 -0.03 0.00 0.71 0.00 0.00 52.55 55.26 1s4c s ASP 109 Cb -0.12 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.23 1s4c s ASP 109 CO -0.00 -0.08 0.22 0.47 0.21 0.00 0.00 175.17 175.98 1s4c n ASP 110 N 0.86 -4.64 -4.77 0.27 8.00 -1.26 -4.69 116.55 110.32 1s4c n ASP 110 Ca 0.01 -0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.13 1s4c n ASP 110 Cb 0.48 -3.86 0.07 0.00 -0.02 0.00 0.00 41.12 37.79 1s4c n ASP 110 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1s4c s LYS 111 N -5.37 2.58 0.23 -1.24 -2.85 -1.25 -4.57 119.74 107.27 1s4c s LYS 111 Ca 0.14 1.25 -0.14 0.00 -1.00 0.00 0.00 55.97 56.22 1s4c s LYS 111 Cb -0.07 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 1s4c s LYS 111 CO 0.17 -1.40 0.49 -0.59 0.10 0.00 0.00 175.35 174.12 1s4c s PHE 112 N -2.65 0.20 -0.12 1.78 -0.12 -0.21 -4.96 117.98 111.91 1s4c s PHE 112 Ca 0.64 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1s4c s PHE 112 Cb -0.18 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 1s4c s PHE 112 CO 0.49 -0.97 -0.15 0.99 -0.05 0.00 0.00 175.22 175.53 1s4c s THR 113 N -3.97 2.90 -0.19 -4.49 2.01 -1.26 -1.02 115.64 109.62 1s4c s THR 113 Ca 0.18 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1s4c s THR 113 Cb -0.01 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1s4c s THR 113 CO 0.05 0.54 0.17 -0.69 -0.69 0.00 0.00 174.62 174.00 1s4c s VAL 114 N 0.24 5.38 -0.25 3.82 1.01 0.75 -4.94 120.40 126.41 1s4c s VAL 114 Ca -0.10 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 1s4c s VAL 114 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1s4c s VAL 114 CO 0.06 0.42 0.16 -0.89 0.00 0.00 0.00 175.10 174.85 1s4c s THR 115 N 0.41 5.30 -0.16 3.92 2.01 -1.26 -1.79 115.64 124.08 1s4c s THR 115 Ca 0.10 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 1s4c s THR 115 Cb -0.12 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1s4c s THR 115 CO -0.00 0.32 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.19 1s4c s MET 116 N 1.28 3.74 0.28 4.92 -1.94 0.17 -4.98 119.30 122.78 1s4c s MET 116 Ca 0.07 -0.48 0.10 0.00 -1.71 0.00 0.00 55.69 53.67 1s4c s MET 116 Cb -0.14 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 1s4c s MET 116 CO 0.06 0.25 -0.05 0.15 -0.01 0.00 0.00 175.02 175.43 1s4c s LYS 117 N 0.36 2.10 0.13 2.03 -0.14 -1.26 -1.49 119.74 121.47 1s4c s LYS 117 Ca -0.02 -1.57 -0.34 0.00 -1.36 0.00 0.00 55.97 52.68 1s4c s LYS 117 Cb -0.14 -2.02 -0.17 0.00 -1.68 0.00 0.00 37.83 33.82 1s4c s LYS 117 CO 0.02 0.31 1.08 -2.30 -0.76 0.00 0.00 175.35 173.70 1s4c n PRO 118 N -0.84 0.79 -0.28 -1.68 -0.02 -1.26 -1.28 135.00 130.42 1s4c n PRO 118 Ca -0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1s4c n PRO 118 Cb 0.60 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1s4c n PRO 118 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s4c n LYS 119 N 1.68 0.00 -2.15 -0.52 4.76 0.23 -4.99 118.16 117.18 1s4c n LYS 119 Ca 0.17 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.23 1s4c n LYS 119 Cb 0.21 -2.06 -0.00 0.00 -1.84 0.00 0.00 35.03 31.34 1s4c n LYS 119 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1s4c s MET 120 N -0.03 3.74 0.03 1.97 -1.94 -0.41 -0.57 119.30 122.09 1s4c s MET 120 Ca 0.00 1.93 0.02 0.00 -1.71 0.00 0.00 55.69 55.93 1s4c s MET 120 Cb 0.00 -2.49 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 1s4c s MET 120 CO 0.00 -0.61 -0.07 -0.59 -0.01 0.00 0.00 175.02 173.75 1s4c s PHE 121 N -1.43 0.57 -0.06 -0.03 -0.12 -0.02 -2.63 117.98 114.26 1s4c s PHE 121 Ca 0.63 -0.38 0.06 0.00 -0.05 0.00 0.00 56.93 57.18 1s4c s PHE 121 Cb -0.33 -0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 1s4c s PHE 121 CO 0.40 -0.07 -0.22 0.00 -0.05 0.00 0.00 175.22 175.28 1s4c s ALA 122 N -1.02 2.29 -0.28 1.99 0.00 -0.14 -0.68 121.76 123.91 1s4c s ALA 122 Ca -0.07 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 1s4c s ALA 122 Cb -0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1s4c s ALA 122 CO 0.00 0.45 0.12 0.08 0.00 0.00 0.00 175.76 176.41 1s4c s VAL 123 N -0.30 4.55 -0.30 0.00 1.01 0.11 -1.41 120.40 124.06 1s4c s VAL 123 Ca 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1s4c s VAL 123 Cb -0.13 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1s4c s VAL 123 CO 0.02 0.22 0.06 -0.36 0.00 0.00 0.00 175.10 175.05 1s4c s PHE 124 N 1.63 3.17 0.99 5.22 0.08 -0.78 -1.26 117.98 127.03 1s4c s PHE 124 Ca 0.06 -1.21 -0.13 0.00 0.12 0.00 0.00 56.93 55.76 1s4c s PHE 124 Cb -0.16 -2.23 0.18 0.00 -0.57 0.00 0.00 43.02 40.25 1s4c s PHE 124 CO 0.06 -0.65 1.12 0.71 -0.10 0.00 0.00 175.22 176.36 1s4c s TYR 125 N 1.44 2.05 0.27 0.36 2.02 -1.26 -1.70 117.35 120.52 1s4c s TYR 125 Ca 0.01 0.85 -0.30 0.00 -0.37 0.00 0.00 57.07 57.25 1s4c s TYR 125 Cb -0.18 -3.37 -0.13 0.00 -0.40 0.00 0.00 41.96 37.89 1s4c s TYR 125 CO 0.01 -2.83 1.43 -2.30 -1.57 0.00 0.00 175.55 170.30 1s4c n PRO 126 N -4.09 2.20 -0.93 -1.71 -0.02 -1.26 -2.20 135.00 126.98 1s4c n PRO 126 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1s4c n PRO 126 Cb 0.58 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1s4c n PRO 126 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s4c n TYR 127 N 1.72 0.00 -2.82 6.00 4.01 -0.68 -4.94 117.16 120.45 1s4c n TYR 127 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1s4c n TYR 127 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 1s4c n TYR 127 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1s4c s GLU 128 N -0.07 3.57 0.31 -0.72 2.02 -0.94 -4.30 118.70 118.57 1s4c s GLU 128 Ca 0.00 0.20 -0.28 0.00 0.02 0.00 0.00 54.97 54.92 1s4c s GLU 128 Cb 0.00 -3.91 -0.09 0.00 0.10 0.00 0.00 34.13 30.23 1s4c s GLU 128 CO 0.00 -1.19 1.06 -2.14 0.02 0.00 0.00 175.26 173.02 1s4c s PRO 129 N 3.71 4.51 -0.08 0.39 0.02 -1.26 -4.61 135.00 137.68 1s4c s PRO 129 Ca 0.37 1.67 -0.22 0.00 0.02 0.00 0.00 61.00 62.84 1s4c s PRO 129 Cb -0.10 -2.98 0.05 0.00 0.02 0.00 0.00 34.50 31.48 1s4c s PRO 129 CO 0.25 0.13 0.51 -3.38 -0.33 0.00 0.00 177.00 174.19 1s4c s HIS 130 N -1.33 -0.47 -0.45 6.54 -3.43 -0.33 -2.85 115.29 112.97 1s4c s HIS 130 Ca 0.48 0.93 0.02 0.00 -0.80 0.00 0.00 55.06 55.70 1s4c s HIS 130 Cb -0.28 0.24 0.14 0.00 -1.43 0.00 0.00 32.58 31.25 1s4c s HIS 130 CO 0.35 -0.43 0.26 0.21 -2.00 0.00 0.00 174.74 173.13 1s4c s LYS 131 N -0.78 1.24 0.97 -0.38 2.20 0.06 -1.01 119.74 122.04 1s4c s LYS 131 Ca -0.08 -2.03 -0.16 0.00 -0.36 0.00 0.00 55.97 53.34 1s4c s LYS 131 Cb -0.03 -2.19 0.22 0.00 -1.51 0.00 0.00 37.83 34.31 1s4c s LYS 131 CO 0.05 -1.20 1.33 -1.25 -0.36 0.00 0.00 175.35 173.92 1s4c s PRO 132 N 0.28 0.48 -1.27 4.03 0.05 -1.26 -2.28 135.00 135.03 1s4c s PRO 132 Ca 0.20 -0.55 0.00 0.00 0.05 0.00 0.00 61.00 60.70 1s4c s PRO 132 Cb -0.20 -1.86 0.00 0.00 0.05 0.00 0.00 34.50 32.49 1s4c s PRO 132 CO -0.03 -2.49 0.00 0.00 0.05 0.00 0.00 177.00 174.53 1s4c s VAL 135 N -2.83 2.06 0.00 0.00 1.01 -0.99 -3.17 120.40 116.48 1s4c s VAL 135 Ca 0.53 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1s4c s VAL 135 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1s4c s VAL 135 CO 0.44 0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.93 1s4c n GLU 141 N 1.17 0.00 -4.33 2.72 4.71 -1.25 -4.64 120.64 119.03 1s4c n GLU 141 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.85 1s4c n GLU 141 Cb 0.38 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.72 1s4c n GLU 141 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1s4c s LYS 142 N -4.67 2.94 0.19 3.49 2.20 -1.26 -1.05 119.74 121.59 1s4c s LYS 142 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1s4c s LYS 142 Cb 0.00 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 1s4c s LYS 142 CO 0.00 0.68 0.07 0.96 -0.36 0.00 0.00 175.35 176.70 1s4c s ILE 143 N -0.96 0.37 -0.06 5.43 -4.36 -0.88 -4.82 121.20 115.92 1s4c s ILE 143 Ca 0.16 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 58.63 1s4c s ILE 143 Cb -0.11 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 1s4c s ILE 143 CO 0.05 -0.24 -0.24 -0.75 0.24 0.00 0.00 174.94 173.99 1s4c s LYS 144 N -4.03 2.52 0.29 0.37 2.20 -0.69 -3.46 119.74 116.94 1s4c s LYS 144 Ca 0.31 -0.88 -0.14 0.00 -0.36 0.00 0.00 55.97 54.90 1s4c s LYS 144 Cb 0.07 -2.12 0.01 0.00 -1.51 0.00 0.00 37.83 34.28 1s4c s LYS 144 CO 0.08 0.36 0.59 -1.59 -0.36 0.00 0.00 175.35 174.43 1s4c s LYS 145 N -0.12 1.77 -0.10 4.03 -2.85 -0.37 -0.32 119.74 121.79 1s4c s LYS 145 Ca -0.04 -1.27 -0.11 0.00 -1.00 0.00 0.00 55.97 53.55 1s4c s LYS 145 Cb -0.14 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.19 1s4c s LYS 145 CO 0.04 -0.77 0.29 -1.17 0.10 0.00 0.00 175.35 173.83 1s4c s LEU 146 N -3.03 0.91 -0.07 2.77 0.20 -0.31 -1.03 118.68 118.12 1s4c s LEU 146 Ca 0.19 0.51 0.03 0.00 0.69 0.00 0.00 54.13 55.55 1s4c s LEU 146 Cb -0.03 1.02 0.01 0.00 -0.43 0.00 0.00 46.19 46.76 1s4c s LEU 146 CO 0.10 -0.15 -0.16 0.68 -0.29 0.00 0.00 176.35 176.54 1s4c s VAL 147 N -0.05 1.40 -0.11 1.68 -7.23 0.25 -0.79 120.40 115.55 1s4c s VAL 147 Ca -0.02 -0.64 -0.14 0.00 -1.81 0.00 0.00 61.98 59.37 1s4c s VAL 147 Cb -0.03 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1s4c s VAL 147 CO 0.01 0.41 0.34 -0.69 -0.31 0.00 0.00 175.10 174.86 1s4c s VAL 148 N 0.48 5.23 -0.21 1.32 1.01 0.11 -1.56 120.40 126.78 1s4c s VAL 148 Ca -0.14 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1s4c s VAL 148 Cb -0.16 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1s4c s VAL 148 CO 0.05 0.45 -0.02 -0.54 0.00 0.00 0.00 175.10 175.04 1s4c s LYS 149 N -0.07 3.50 -0.09 2.72 -0.14 -0.25 -0.61 119.74 124.79 1s4c s LYS 149 Ca 0.20 -0.57 -0.01 0.00 -1.36 0.00 0.00 55.97 54.23 1s4c s LYS 149 Cb -0.14 -3.05 0.03 0.00 -1.68 0.00 0.00 37.83 32.98 1s4c s LYS 149 CO 0.07 -0.10 -0.05 0.08 -0.76 0.00 0.00 175.35 174.59 1s4c s VAL 150 N 1.27 0.77 0.19 3.17 1.01 -0.63 -3.09 120.40 123.09 1s4c s VAL 150 Ca 0.03 -0.14 -0.33 0.00 0.00 0.00 0.00 61.98 61.55 1s4c s VAL 150 Cb -0.14 -0.84 -0.13 0.00 0.00 0.00 0.00 36.38 35.26 1s4c s VAL 150 CO -0.00 0.32 1.59 -2.65 0.00 0.00 0.00 175.10 174.36 1s4c n PRO 151 N 4.93 2.29 0.27 2.72 -0.02 -1.26 0.44 135.00 144.37 1s4c n PRO 151 Ca -0.11 0.83 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1s4c n PRO 151 Cb 0.50 -2.60 0.74 0.00 -0.02 0.00 0.00 33.50 32.13 1s4c n PRO 151 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1s4c h VAL 152 N 3.56 0.51 0.00 -1.45 -1.51 -1.59 -0.81 116.25 114.95 1s4c h VAL 152 Ca -0.45 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1s4c h VAL 152 Cb 1.24 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1s4c h VAL 152 CO 0.88 0.11 0.00 2.29 -1.23 0.00 0.00 177.57 179.62 1s4c n LYS 153 N -3.58 0.11 0.00 5.19 2.85 -1.26 0.03 118.16 121.50 1s4c n LYS 153 Ca -0.02 0.51 0.15 0.00 -1.05 0.00 0.00 58.31 57.90 1s4c n LYS 153 Cb 0.24 -1.80 0.78 0.00 -0.65 0.00 0.00 35.03 33.60 1s4c n LYS 153 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1s4c n LEU 154 N -2.03 0.00 -0.05 -5.58 4.77 -0.31 -5.23 117.00 108.56 1s4c n LEU 154 Ca 0.00 0.22 0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1s4c n LEU 154 Cb 0.10 -0.22 0.90 0.00 -2.33 0.00 0.00 43.42 41.87 1s4c n LEU 154 CO 0.11 -0.01 1.08 -0.38 -1.33 0.00 0.00 177.39 176.87