#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5k s ARG 7 N 0.00 3.68 0.50 -2.82 0.52 -1.26 -4.94 118.95 114.62 1m5k s ARG 7 Ca 0.00 1.69 -0.23 0.00 -0.52 0.00 0.00 55.73 56.67 1m5k s ARG 7 Cb 0.00 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 1m5k s ARG 7 CO 0.00 -0.60 1.34 -2.30 0.02 0.00 0.00 175.30 173.77 1m5k n PRO 8 N -0.70 1.87 -3.92 3.54 -0.02 -1.26 -4.77 135.00 129.73 1m5k n PRO 8 Ca 0.08 0.68 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1m5k n PRO 8 Cb 0.49 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 1m5k n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1m5k s ASN 9 N -0.72 0.19 0.51 2.55 3.84 -1.26 -5.03 114.94 115.01 1m5k s ASN 9 Ca 0.67 -0.60 0.18 0.00 0.21 0.00 0.00 52.86 53.31 1m5k s ASN 9 Cb -0.44 0.26 1.27 0.00 -0.55 0.00 0.00 41.25 41.78 1m5k s ASN 9 CO 0.53 -0.58 2.11 0.45 -2.79 0.00 0.00 177.10 176.82 1m5k h HIS 10 N 3.34 0.00 -3.49 0.43 3.86 -1.89 -3.43 115.15 113.98 1m5k h HIS 10 Ca -0.33 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.20 1m5k h HIS 10 Cb 1.18 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.49 1m5k h HIS 10 CO 0.51 0.06 -0.66 0.99 0.86 0.00 0.00 177.93 179.69 1m5k s THR 11 N -4.85 4.00 -0.02 2.45 2.01 -1.26 -0.59 115.64 117.37 1m5k s THR 11 Ca -0.05 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1m5k s THR 11 Cb 0.16 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1m5k s THR 11 CO 0.66 0.55 -0.02 0.27 -0.69 0.00 0.00 174.62 175.39 1m5k s ILE 12 N -0.89 4.03 -0.20 1.82 -4.36 -0.72 -1.31 121.20 119.56 1m5k s ILE 12 Ca 0.14 -0.58 -0.10 0.00 -0.26 0.00 0.00 60.65 59.86 1m5k s ILE 12 Cb -0.11 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 40.79 1m5k s ILE 12 CO 0.03 0.43 0.12 -0.47 0.24 0.00 0.00 174.94 175.29 1m5k s TYR 13 N -1.01 3.38 -0.09 1.37 6.14 0.68 -2.34 117.35 125.48 1m5k s TYR 13 Ca 0.17 0.28 0.02 0.00 0.64 0.00 0.00 57.07 58.18 1m5k s TYR 13 Cb -0.11 -2.15 0.02 0.00 0.42 0.00 0.00 41.96 40.13 1m5k s TYR 13 CO 0.08 0.26 -0.12 0.42 0.64 0.00 0.00 175.55 176.82 1m5k s ILE 14 N 0.38 1.25 0.36 3.14 1.01 -0.91 0.26 121.20 126.70 1m5k s ILE 14 Ca 0.07 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1m5k s ILE 14 Cb -0.11 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1m5k s ILE 14 CO -0.01 0.39 0.25 -0.46 0.00 0.00 0.00 174.94 175.10 1m5k n ASN 15 N 4.18 -0.13 -1.02 3.58 2.04 0.14 -1.51 115.26 122.54 1m5k n ASN 15 Ca -0.19 -3.24 -0.05 0.00 -0.44 0.00 0.00 54.58 50.65 1m5k n ASN 15 Cb 0.51 1.52 0.01 0.00 -2.53 0.00 0.00 39.78 39.29 1m5k n ASN 15 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1m5k n ASN 16 N -1.61 -2.75 -4.89 0.53 5.15 -0.92 -0.83 115.26 109.93 1m5k n ASN 16 Ca 0.04 -0.09 -0.32 0.00 -0.60 0.00 0.00 54.58 53.61 1m5k n ASN 16 Cb 0.62 -1.49 -0.05 0.00 -0.53 0.00 0.00 39.78 38.33 1m5k n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1m5k s LEU 17 N -2.13 4.21 0.02 1.20 1.43 -0.81 -4.44 118.68 118.16 1m5k s LEU 17 Ca 0.10 0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 53.67 1m5k s LEU 17 Cb -0.04 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 1m5k s LEU 17 CO 0.12 -0.02 1.77 0.21 0.23 0.00 0.00 176.35 178.66 1m5k s ASN 18 N -2.41 6.56 0.00 2.29 3.84 -1.26 -4.54 114.94 119.42 1m5k s ASN 18 Ca 0.45 2.48 0.29 0.00 0.21 0.00 0.00 52.86 56.28 1m5k s ASN 18 Cb -0.12 -2.54 1.34 0.00 -0.55 0.00 0.00 41.25 39.38 1m5k s ASN 18 CO 0.23 -0.96 1.96 -0.62 -2.79 0.00 0.00 177.10 174.92 1m5k n GLU 19 N 6.76 0.20 0.03 0.43 1.02 -1.26 -3.47 120.64 124.35 1m5k n GLU 19 Ca 0.18 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1m5k n GLU 19 Cb 0.41 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.64 1m5k n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5k n LYS 20 N -1.40 0.14 -2.65 3.49 5.02 -1.26 -4.89 118.16 116.61 1m5k n LYS 20 Ca 0.10 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1m5k n LYS 20 Cb 0.29 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1m5k n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m5k s ILE 21 N -3.07 4.68 0.52 -0.18 1.09 -1.23 -5.02 121.20 117.99 1m5k s ILE 21 Ca 0.10 1.93 -0.22 0.00 -1.10 0.00 0.00 60.65 61.35 1m5k s ILE 21 Cb 0.16 -4.23 -0.06 0.00 -1.06 0.00 0.00 42.46 37.26 1m5k s ILE 21 CO 0.66 0.15 1.30 0.29 -0.10 0.00 0.00 174.94 177.25 1m5k n LYS 22 N 3.88 1.68 -0.02 2.79 4.76 -1.26 -4.74 118.16 125.24 1m5k n LYS 22 Ca 0.07 0.61 -0.09 0.00 -2.87 0.00 0.00 58.31 56.03 1m5k n LYS 22 Cb 0.50 -2.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.17 1m5k n LYS 22 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1m5k h LYS 23 N 1.50 -0.23 -0.47 1.97 3.64 -1.96 0.30 116.57 121.31 1m5k h LYS 23 Ca -0.50 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1m5k h LYS 23 Cb 1.31 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1m5k h LYS 23 CO 0.57 -0.15 0.29 0.38 -2.27 0.00 0.00 179.45 178.27 1m5k h ASP 24 N -0.24 0.56 -0.94 4.20 2.03 -1.98 0.30 116.42 120.35 1m5k h ASP 24 Ca 0.12 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1m5k h ASP 24 Cb 0.41 -0.14 -0.05 0.00 -0.83 0.00 0.00 39.33 38.72 1m5k h ASP 24 CO -0.32 0.44 0.60 -0.08 -1.03 0.00 0.00 179.24 178.86 1m5k h GLU 25 N 0.64 1.26 -0.20 4.15 4.57 -1.84 -0.93 114.58 122.22 1m5k h GLU 25 Ca 0.17 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 1m5k h GLU 25 Cb -0.03 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.28 1m5k h GLU 25 CO -0.03 0.85 -0.19 1.25 -1.18 0.00 0.00 179.01 179.71 1m5k h LEU 26 N 1.29 0.52 -0.47 1.64 5.85 0.47 -1.97 115.31 122.64 1m5k h LEU 26 Ca 0.34 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1m5k h LEU 26 Cb -0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1m5k h LEU 26 CO -0.07 0.88 0.28 0.11 -0.34 0.00 0.00 178.44 179.30 1m5k h LYS 27 N 0.16 0.64 -0.24 1.25 1.57 -0.23 -0.96 116.57 118.76 1m5k h LYS 27 Ca 0.03 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1m5k h LYS 27 Cb 0.73 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1m5k h LYS 27 CO 0.05 0.48 0.07 -0.22 -0.57 0.00 0.00 179.45 179.26 1m5k h LYS 28 N 0.62 0.18 -0.66 3.15 3.64 -1.17 -0.71 116.57 121.63 1m5k h LYS 28 Ca 0.17 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1m5k h LYS 28 Cb 0.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1m5k h LYS 28 CO -0.03 0.12 0.13 0.77 -2.27 0.00 0.00 179.45 178.17 1m5k h SER 29 N 0.18 1.02 -0.76 4.20 0.02 -1.17 -1.45 113.55 115.60 1m5k h SER 29 Ca 0.10 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1m5k h SER 29 Cb 0.08 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 1m5k h SER 29 CO -0.11 1.01 0.48 -0.07 -1.14 0.00 0.00 176.83 176.99 1m5k h LEU 30 N 0.99 0.79 -0.56 5.07 3.38 -0.77 -1.59 115.31 122.63 1m5k h LEU 30 Ca 0.20 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1m5k h LEU 30 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1m5k h LEU 30 CO 0.01 0.55 -0.02 -0.74 0.09 0.00 0.00 178.44 178.32 1m5k h HIS 31 N 0.94 1.09 -0.31 1.13 2.76 -0.83 -0.92 115.15 119.01 1m5k h HIS 31 Ca 0.30 -0.20 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1m5k h HIS 31 Cb 0.01 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 1m5k h HIS 31 CO -0.03 0.99 0.07 0.00 -1.30 0.00 0.00 177.93 177.66 1m5k h ALA 32 N 0.96 0.33 0.00 5.26 0.00 -0.61 0.13 119.26 125.33 1m5k h ALA 32 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1m5k h ALA 32 Cb 0.57 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1m5k h ALA 32 CO 0.03 -0.34 -0.25 0.44 0.00 0.00 0.00 179.25 179.13 1m5k n ILE 33 N -5.08 0.11 0.09 0.00 -5.35 -0.66 -4.11 119.36 104.36 1m5k n ILE 33 Ca 0.00 -0.07 0.06 0.00 -0.27 0.00 0.00 62.75 62.48 1m5k n ILE 33 Cb 0.13 -0.20 -0.09 0.00 -1.74 0.00 0.00 39.64 37.74 1m5k n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1m5k n PHE 34 N -1.66 0.00 -0.31 4.28 3.72 -0.36 -4.68 117.46 118.45 1m5k n PHE 34 Ca 0.06 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.63 1m5k n PHE 34 Cb 0.36 -0.24 0.43 0.00 -0.94 0.00 0.00 39.48 39.10 1m5k n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1m5k h SER 35 N 0.00 0.57 0.04 4.37 4.64 -0.90 -2.55 113.55 119.73 1m5k h SER 35 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1m5k h SER 35 Cb 0.52 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1m5k h SER 35 CO 0.00 0.19 0.00 0.08 -0.87 0.00 0.00 176.83 176.23 1m5k h ARG 36 N 0.55 0.00 0.00 4.77 0.11 -1.83 -2.71 114.38 115.27 1m5k h ARG 36 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 1m5k h ARG 36 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1m5k h ARG 36 CO -0.29 0.00 -0.24 1.19 0.10 0.00 0.00 179.97 180.73 1m5k n PHE 37 N -2.68 0.23 0.00 4.08 3.72 -0.96 -5.01 117.46 116.84 1m5k n PHE 37 Ca -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1m5k n PHE 37 Cb 0.06 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1m5k n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m5k n GLY 38 N 1.44 2.13 3.77 1.37 0.00 -1.02 -4.52 105.19 108.37 1m5k n GLY 38 Ca 0.06 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1m5k n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m5k s GLN 39 N -1.88 4.12 -0.20 1.61 0.74 -1.26 -4.73 119.66 118.07 1m5k s GLN 39 Ca 0.00 2.56 -0.07 0.00 0.05 0.00 0.00 55.36 57.90 1m5k s GLN 39 Cb 0.00 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 1m5k s GLN 39 CO 0.00 -0.56 0.04 0.42 -0.55 0.00 0.00 175.29 174.65 1m5k s ILE 40 N -0.70 4.46 0.00 -2.34 1.01 -1.26 -2.20 121.20 120.16 1m5k s ILE 40 Ca 0.56 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 61.16 1m5k s ILE 40 Cb -0.47 -3.02 -0.23 0.00 0.01 0.00 0.00 42.46 38.75 1m5k s ILE 40 CO 0.57 0.43 0.84 -0.07 0.00 0.00 0.00 174.94 176.71 1m5k h LEU 41 N 7.13 0.06 -7.11 2.97 3.38 -0.95 -3.48 115.31 117.32 1m5k h LEU 41 Ca -0.36 -0.10 0.28 0.00 0.09 0.00 0.00 57.88 57.79 1m5k h LEU 41 Cb 1.18 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.75 1m5k h LEU 41 CO 0.65 1.08 0.80 -0.62 0.09 0.00 0.00 178.44 180.44 1m5k s ASP 42 N -6.39 -0.11 -0.09 -0.43 2.15 -1.20 -5.03 116.67 105.58 1m5k s ASP 42 Ca -0.04 -0.07 -0.03 0.00 0.43 0.00 0.00 52.55 52.84 1m5k s ASP 42 Cb 0.08 0.17 0.04 0.00 -0.30 0.00 0.00 42.92 42.91 1m5k s ASP 42 CO 0.82 -0.29 0.08 -0.63 -0.17 0.00 0.00 175.17 174.98 1m5k s ILE 43 N -2.46 -0.11 -0.24 4.11 1.01 -1.26 -0.90 121.20 121.34 1m5k s ILE 43 Ca 0.11 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 1m5k s ILE 43 Cb 0.01 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 1m5k s ILE 43 CO -0.04 0.01 0.15 -0.76 0.00 0.00 0.00 174.94 174.30 1m5k s LEU 44 N 2.17 4.01 -0.05 2.97 2.01 0.82 -4.92 118.68 125.69 1m5k s LEU 44 Ca 0.04 0.06 0.01 0.00 0.01 0.00 0.00 54.13 54.24 1m5k s LEU 44 Cb -0.13 -2.08 0.02 0.00 0.01 0.00 0.00 46.19 44.01 1m5k s LEU 44 CO -0.05 0.04 -0.05 -0.69 1.01 0.00 0.00 176.35 176.61 1m5k s VAL 45 N 1.20 0.57 0.02 -1.59 1.01 -1.26 -0.83 120.40 119.52 1m5k s VAL 45 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1m5k s VAL 45 Cb -0.14 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1m5k s VAL 45 CO 0.05 0.24 -0.09 -0.55 0.00 0.00 0.00 175.10 174.75 1m5k s SER 46 N 0.97 1.09 -0.12 3.32 0.15 -1.26 -5.04 113.70 112.81 1m5k s SER 46 Ca -0.10 -0.32 0.18 0.00 0.70 0.00 0.00 55.95 56.40 1m5k s SER 46 Cb -0.14 -0.07 0.70 0.00 -1.71 0.00 0.00 66.02 64.80 1m5k s SER 46 CO -0.00 0.01 1.61 0.54 1.20 0.00 0.00 173.24 176.60 1m5k n ARG 47 N 2.28 3.74 -0.95 5.44 1.74 -1.26 -2.76 116.66 124.89 1m5k n ARG 47 Ca -0.17 -2.87 -0.30 0.00 -0.77 0.00 0.00 57.85 53.74 1m5k n ARG 47 Cb 0.56 -1.89 0.15 0.00 -1.02 0.00 0.00 32.46 30.26 1m5k n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1m5k s SER 48 N -0.98 3.26 0.19 0.55 1.04 -1.26 -4.52 113.70 111.98 1m5k s SER 48 Ca 0.49 1.85 -0.22 0.00 0.48 0.00 0.00 55.95 58.55 1m5k s SER 48 Cb 0.33 -2.44 0.11 0.00 0.10 0.00 0.00 66.02 64.12 1m5k s SER 48 CO 0.22 -2.83 1.56 0.25 0.98 0.00 0.00 173.24 173.43 1m5k h LEU 49 N -1.68 -1.47 -0.10 2.42 5.85 -1.96 0.24 115.31 118.60 1m5k h LEU 49 Ca -0.47 0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1m5k h LEU 49 Cb 1.27 0.71 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1m5k h LEU 49 CO 0.48 -0.30 -0.45 0.11 -0.34 0.00 0.00 178.44 177.94 1m5k h LYS 50 N -0.11 0.00 -0.01 1.25 1.57 -1.97 -3.33 116.57 113.97 1m5k h LYS 50 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1m5k h LYS 50 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1m5k h LYS 50 CO -0.81 0.45 -0.50 -1.33 -0.57 0.00 0.00 179.45 176.69 1m5k n MET 51 N -3.24 1.40 -2.07 3.15 2.81 -0.87 -4.99 117.12 113.31 1m5k n MET 51 Ca 0.02 -0.70 -0.37 0.00 -1.81 0.00 0.00 57.70 54.84 1m5k n MET 51 Cb 0.69 -1.36 0.02 0.00 -0.71 0.00 0.00 33.22 31.86 1m5k n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1m5k s ARG 52 N -2.27 3.38 0.00 0.03 1.70 0.78 -2.83 118.95 119.74 1m5k s ARG 52 Ca 0.14 1.91 0.00 0.00 -0.47 0.00 0.00 55.73 57.30 1m5k s ARG 52 Cb 0.15 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 32.30 1m5k s ARG 52 CO 0.53 -0.90 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1m5k n GLY 53 N 0.52 0.77 3.28 3.88 0.00 -1.26 -5.01 105.19 107.37 1m5k n GLY 53 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1m5k n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m5k s GLN 54 N -0.24 1.34 -0.15 1.61 -0.21 -1.13 -1.92 119.66 118.96 1m5k s GLN 54 Ca 0.00 -1.71 -0.29 0.00 0.02 0.00 0.00 55.36 53.37 1m5k s GLN 54 Cb 0.00 -0.11 0.10 0.00 1.00 0.00 0.00 33.01 34.00 1m5k s GLN 54 CO 0.00 -0.31 0.85 0.00 -2.12 0.00 0.00 175.29 173.71 1m5k s ALA 55 N -3.86 -1.86 -0.13 6.09 0.00 -0.57 -4.40 121.76 117.03 1m5k s ALA 55 Ca 0.37 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.90 1m5k s ALA 55 Cb 0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1m5k s ALA 55 CO 0.13 -0.32 -0.08 -0.06 0.00 0.00 0.00 175.76 175.42 1m5k s PHE 56 N -0.78 2.93 -0.26 0.00 0.40 -0.01 -2.14 117.98 118.11 1m5k s PHE 56 Ca -0.04 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1m5k s PHE 56 Cb -0.01 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.69 1m5k s PHE 56 CO 0.04 -0.05 -0.07 0.08 0.70 0.00 0.00 175.22 175.92 1m5k s VAL 57 N 0.17 2.57 -0.31 -0.44 1.01 -0.99 -0.12 120.40 122.29 1m5k s VAL 57 Ca -0.04 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.42 1m5k s VAL 57 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1m5k s VAL 57 CO 0.04 0.05 0.38 -0.63 0.00 0.00 0.00 175.10 174.93 1m5k s ILE 58 N 1.21 5.16 0.27 2.22 1.01 -0.08 -1.76 121.20 129.23 1m5k s ILE 58 Ca -0.05 0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.89 1m5k s ILE 58 Cb -0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1m5k s ILE 58 CO -0.04 0.00 0.46 -0.36 0.00 0.00 0.00 174.94 175.00 1m5k s PHE 59 N 2.07 3.48 0.11 3.97 0.08 0.24 -0.29 117.98 127.65 1m5k s PHE 59 Ca 0.14 0.34 0.04 0.00 0.12 0.00 0.00 56.93 57.56 1m5k s PHE 59 Cb -0.16 -1.86 -0.23 0.00 -0.57 0.00 0.00 43.02 40.20 1m5k s PHE 59 CO 0.11 0.27 1.24 -0.22 -0.10 0.00 0.00 175.22 176.53 1m5k h LYS 60 N 1.44 0.07 -5.48 0.44 3.64 -1.71 -3.43 116.57 111.54 1m5k h LYS 60 Ca -0.49 -0.12 -0.61 0.00 -1.27 0.00 0.00 60.65 58.15 1m5k h LYS 60 Cb 1.20 0.05 -0.32 0.00 -0.41 0.00 0.00 32.23 32.75 1m5k h LYS 60 CO 0.65 1.06 -0.86 -1.21 -2.27 0.00 0.00 179.45 176.82 1m5k s GLU 61 N -2.70 2.18 0.18 1.90 0.41 -1.26 -5.02 118.70 114.40 1m5k s GLU 61 Ca -0.00 -0.72 -0.12 0.00 -0.41 0.00 0.00 54.97 53.71 1m5k s GLU 61 Cb 0.09 -1.83 0.15 0.00 -1.78 0.00 0.00 34.13 30.76 1m5k s GLU 61 CO 0.84 0.27 1.79 0.28 -0.49 0.00 0.00 175.26 177.94 1m5k h VAL 62 N 5.30 0.97 -1.05 2.63 2.07 -1.86 0.37 116.25 124.68 1m5k h VAL 62 Ca -0.31 -0.19 0.27 0.00 0.82 0.00 0.00 66.70 67.30 1m5k h VAL 62 Cb 1.18 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1m5k h VAL 62 CO 0.47 0.10 0.69 0.77 0.02 0.00 0.00 177.57 179.62 1m5k h SER 63 N 0.54 0.36 0.11 0.57 4.64 -1.95 0.76 113.55 118.58 1m5k h SER 63 Ca 0.24 0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.49 1m5k h SER 63 Cb 0.13 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1m5k h SER 63 CO -0.16 0.07 -0.48 0.28 -0.87 0.00 0.00 176.83 175.68 1m5k h SER 64 N 0.32 0.46 -0.22 4.97 0.02 -1.16 -2.60 113.55 115.34 1m5k h SER 64 Ca 0.58 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1m5k h SER 64 Cb 1.60 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1m5k h SER 64 CO -0.24 0.87 -0.13 0.00 -1.14 0.00 0.00 176.83 176.19 1m5k h ALA 65 N 1.15 0.32 -0.79 3.77 0.00 0.79 -2.09 119.26 122.40 1m5k h ALA 65 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1m5k h ALA 65 Cb 0.96 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1m5k h ALA 65 CO 0.08 0.19 0.52 1.15 0.00 0.00 0.00 179.25 181.19 1m5k h THR 66 N 0.19 1.16 0.01 0.00 2.02 -1.18 -0.79 112.91 114.33 1m5k h THR 66 Ca 0.05 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1m5k h THR 66 Cb 0.64 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1m5k h THR 66 CO 0.04 0.19 -0.01 0.78 0.37 0.00 0.00 175.52 176.89 1m5k h ASN 67 N 1.02 -0.01 -0.19 4.18 2.35 -1.34 -1.55 115.58 120.03 1m5k h ASN 67 Ca 0.30 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1m5k h ASN 67 Cb -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1m5k h ASN 67 CO -0.08 0.32 0.09 0.00 -1.65 0.00 0.00 177.43 176.11 1m5k h ALA 68 N 0.64 0.23 0.04 -0.83 0.00 -1.11 -1.89 119.26 116.33 1m5k h ALA 68 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1m5k h ALA 68 Cb 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1m5k h ALA 68 CO 0.00 -0.33 -0.37 1.25 0.00 0.00 0.00 179.25 179.80 1m5k h LEU 69 N 0.20 -1.10 -1.17 0.00 5.85 -1.10 0.19 115.31 118.18 1m5k h LEU 69 Ca 0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1m5k h LEU 69 Cb 0.02 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1m5k h LEU 69 CO -0.06 -0.43 0.00 0.03 -0.34 0.00 0.00 178.44 177.64 1m5k h ARG 70 N -0.55 0.00 -0.00 1.25 3.08 -1.20 -3.13 114.38 113.82 1m5k h ARG 70 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1m5k h ARG 70 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1m5k h ARG 70 CO -0.27 0.00 -0.11 0.45 -1.07 0.00 0.00 179.97 178.98 1m5k n SER 71 N -2.35 0.54 -0.04 7.04 2.88 -0.72 -4.62 113.62 116.34 1m5k n SER 71 Ca 0.00 -0.77 0.02 0.00 -1.33 0.00 0.00 58.87 56.80 1m5k n SER 71 Cb 0.15 0.67 0.03 0.00 -0.75 0.00 0.00 64.21 64.32 1m5k n SER 71 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1m5k n MET 72 N -0.66 2.15 -1.76 -1.46 2.81 -0.01 -4.96 117.12 113.24 1m5k n MET 72 Ca 0.01 -1.64 -0.43 0.00 -1.81 0.00 0.00 57.70 53.83 1m5k n MET 72 Cb 0.07 -1.05 -0.03 0.00 -0.71 0.00 0.00 33.22 31.50 1m5k n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1m5k s GLN 73 N -1.32 3.33 0.00 0.03 2.00 -1.19 -1.96 119.66 120.55 1m5k s GLN 73 Ca 0.08 1.90 0.00 0.00 -2.00 0.00 0.00 55.36 55.33 1m5k s GLN 73 Cb 0.07 -4.28 0.00 0.00 0.80 0.00 0.00 33.01 29.60 1m5k s GLN 73 CO 0.01 -1.87 0.00 0.41 -0.50 0.00 0.00 175.29 173.34 1m5k n GLY 74 N 5.47 0.72 3.60 2.59 0.00 -0.29 -5.02 105.19 112.27 1m5k n GLY 74 Ca 0.26 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.72 1m5k n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m5k n PHE 75 N -2.00 1.39 -1.71 1.61 7.35 -0.83 -4.06 117.46 119.21 1m5k n PHE 75 Ca 0.00 0.77 -0.43 0.00 -0.76 0.00 0.00 57.45 57.03 1m5k n PHE 75 Cb 0.00 -2.28 -0.02 0.00 0.35 0.00 0.00 39.48 37.53 1m5k n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1m5k n PRO 76 N 2.81 2.29 -3.16 -7.13 -0.02 -1.26 -2.37 135.00 126.16 1m5k n PRO 76 Ca 0.21 0.81 0.03 0.00 -2.02 0.00 0.00 63.50 62.53 1m5k n PRO 76 Cb 0.13 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 1m5k n PRO 76 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1m5k s PHE 77 N -0.36 -1.64 -1.48 6.00 5.36 -0.51 -4.90 117.98 120.46 1m5k s PHE 77 Ca 0.63 1.47 -0.11 0.00 -0.96 0.00 0.00 56.93 57.95 1m5k s PHE 77 Cb -0.57 0.46 0.07 0.00 -0.34 0.00 0.00 43.02 42.63 1m5k s PHE 77 CO 0.53 -0.94 0.84 0.66 -1.46 0.00 0.00 175.22 174.85 1m5k n TYR 78 N 5.42 -2.19 -1.00 10.12 4.01 -1.26 -1.84 117.16 130.43 1m5k n TYR 78 Ca 0.01 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 1m5k n TYR 78 Cb 0.52 -3.91 0.00 0.00 -0.31 0.00 0.00 39.34 35.64 1m5k n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5k n ASP 79 N -2.68 -2.64 -3.99 7.72 8.00 -1.26 -4.77 116.55 116.93 1m5k n ASP 79 Ca 0.01 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1m5k n ASP 79 Cb 0.54 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 41.01 1m5k n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1m5k s LYS 80 N -0.04 0.71 -0.65 -1.24 1.02 -0.77 -5.10 119.74 113.68 1m5k s LYS 80 Ca 0.00 -0.26 -0.27 0.00 0.02 0.00 0.00 55.97 55.46 1m5k s LYS 80 Cb 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 1m5k s LYS 80 CO 0.00 0.13 1.42 -1.25 -0.92 0.00 0.00 175.35 174.73 1m5k s PRO 81 N 0.01 3.15 0.43 -1.68 0.04 -1.26 -1.42 135.00 134.27 1m5k s PRO 81 Ca 0.00 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 1m5k s PRO 81 Cb -0.05 -4.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.21 1m5k s PRO 81 CO -0.00 -2.16 1.39 0.00 0.04 0.00 0.00 177.00 176.27 1m5k n MET 82 N 9.05 2.20 -4.43 4.56 0.00 -1.00 -4.72 117.12 122.78 1m5k n MET 82 Ca 0.09 0.78 -0.34 0.00 0.00 0.00 0.00 57.70 58.24 1m5k n MET 82 Cb 0.50 -2.55 -0.11 0.00 0.00 0.00 0.00 33.22 31.05 1m5k n MET 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1m5k s ARG 83 N -2.32 3.35 -0.03 3.17 3.52 -0.01 -1.13 118.95 125.49 1m5k s ARG 83 Ca 0.60 -0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.75 1m5k s ARG 83 Cb -0.47 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1m5k s ARG 83 CO 0.59 0.43 -0.16 0.42 -0.81 0.00 0.00 175.30 175.76 1m5k s ILE 84 N -0.14 1.30 0.15 4.11 1.01 -1.26 0.25 121.20 126.62 1m5k s ILE 84 Ca 0.03 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1m5k s ILE 84 Cb -0.13 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1m5k s ILE 84 CO 0.02 0.37 0.22 -1.10 0.00 0.00 0.00 174.94 174.46 1m5k s GLN 85 N -0.16 1.09 0.60 2.79 -0.21 0.14 -4.96 119.66 118.95 1m5k s GLN 85 Ca 0.01 -1.24 -0.15 0.00 0.02 0.00 0.00 55.36 54.01 1m5k s GLN 85 Cb -0.09 0.34 -0.04 0.00 1.00 0.00 0.00 33.01 34.23 1m5k s GLN 85 CO 0.01 -0.38 1.04 0.71 -2.12 0.00 0.00 175.29 174.55 1m5k s TYR 86 N -3.99 3.12 0.46 0.91 2.02 -1.26 0.25 117.35 118.86 1m5k s TYR 86 Ca 0.19 1.48 -0.21 0.00 -0.37 0.00 0.00 57.07 58.16 1m5k s TYR 86 Cb 0.04 -2.94 -0.09 0.00 -0.40 0.00 0.00 41.96 38.58 1m5k s TYR 86 CO 0.00 -0.98 1.04 0.00 -1.57 0.00 0.00 175.55 174.04 1m5k s ALA 87 N -2.61 2.93 0.17 3.71 0.00 -0.43 -4.37 121.76 121.16 1m5k s ALA 87 Ca 0.61 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 1m5k s ALA 87 Cb -0.14 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1m5k s ALA 87 CO 0.39 -0.29 1.64 0.87 0.00 0.00 0.00 175.76 178.37 1m5k h LYS 88 N 1.81 1.02 -5.94 0.00 1.57 -1.93 -3.45 116.57 109.64 1m5k h LYS 88 Ca -0.49 -0.31 -0.52 0.00 -1.87 0.00 0.00 60.65 57.45 1m5k h LYS 88 Cb 1.22 -0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.21 1m5k h LYS 88 CO 0.60 1.00 -0.82 0.99 -0.57 0.00 0.00 179.45 180.65 1m5k s THR 89 N -5.06 1.55 0.32 -0.16 2.01 -1.26 -4.94 115.64 108.09 1m5k s THR 89 Ca -0.12 -1.43 -0.28 0.00 0.31 0.00 0.00 61.69 60.17 1m5k s THR 89 Cb 0.13 -1.41 -0.13 0.00 0.01 0.00 0.00 72.50 71.10 1m5k s THR 89 CO 0.85 -0.06 1.11 0.47 -0.69 0.00 0.00 174.62 176.29 1m5k n ASP 90 N 1.25 1.81 -4.81 3.53 9.92 -1.26 -4.94 116.55 122.05 1m5k n ASP 90 Ca -0.20 1.18 -0.33 0.00 -0.53 0.00 0.00 54.79 54.92 1m5k n ASP 90 Cb 0.54 -1.36 0.01 0.00 -0.64 0.00 0.00 41.12 39.66 1m5k n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1m5k s SER 91 N -0.49 5.86 0.19 -2.24 0.01 -1.26 -4.81 113.70 110.96 1m5k s SER 91 Ca 0.58 1.80 -0.16 0.00 1.31 0.00 0.00 55.95 59.48 1m5k s SER 91 Cb -0.64 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.23 1m5k s SER 91 CO 0.61 -1.12 1.62 0.44 0.41 0.00 0.00 173.24 175.20 1m5k h ASP 92 N 0.50 -0.69 -0.01 2.44 3.32 -1.98 -1.73 116.42 118.27 1m5k h ASP 92 Ca -0.47 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1m5k h ASP 92 Cb 1.22 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 1m5k h ASP 92 CO 0.58 -0.23 0.02 0.16 -1.72 0.00 0.00 179.24 178.05 1m5k h ILE 93 N -0.06 0.32 0.11 0.35 3.07 -1.97 0.32 117.51 119.65 1m5k h ILE 93 Ca 0.26 0.00 -0.31 0.00 1.55 0.00 0.00 64.86 66.36 1m5k h ILE 93 Cb 0.46 0.99 -0.01 0.00 -0.27 0.00 0.00 36.82 37.99 1m5k h ILE 93 CO -0.60 0.00 -1.60 0.40 -1.05 0.00 0.00 178.15 175.31 1m5k h ILE 94 N 0.00 1.07 -0.02 0.16 1.08 -1.72 -3.32 117.51 114.76 1m5k h ILE 94 Ca 0.00 -2.73 -0.17 0.00 -0.39 0.00 0.00 64.86 61.57 1m5k h ILE 94 Cb 0.04 2.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1m5k h ILE 94 CO -0.00 0.80 -0.75 0.00 -0.69 0.00 0.00 178.15 177.51 1m5k h ALA 95 N 0.47 0.70 -0.02 1.87 0.00 -0.32 -3.19 119.26 118.76 1m5k h ALA 95 Ca -0.27 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1m5k h ALA 95 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1m5k h ALA 95 CO 0.15 0.85 0.00 1.63 0.00 0.00 0.00 179.25 181.88 1m5k n LYS 96 N -3.73 1.10 0.00 0.00 4.76 0.98 -5.09 118.16 116.17 1m5k n LYS 96 Ca -0.02 -0.15 0.15 0.00 -2.87 0.00 0.00 58.31 55.41 1m5k n LYS 96 Cb 0.72 -1.31 0.77 0.00 -1.84 0.00 0.00 35.03 33.37 1m5k n LYS 96 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70