#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png n ASP 2 N 0.00 0.66 0.00 1.61 5.75 -1.26 -4.92 116.55 118.40 2png n ASP 2 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2png n ASP 2 Cb 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2png n GLY 3 N 1.93 0.18 0.16 6.12 0.00 -1.26 -3.97 105.19 108.34 2png n GLY 3 Ca -0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 2png n GLY 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2png h GLU 4 N 0.00 0.54 -3.63 1.61 4.11 -1.97 -3.44 114.58 111.80 2png h GLU 4 Ca 0.00 -0.66 -0.25 0.00 0.07 0.00 0.00 59.36 58.52 2png h GLU 4 Cb 0.00 0.21 -0.30 0.00 0.50 0.00 0.00 28.75 29.16 2png h GLU 4 CO 0.00 1.27 -0.71 0.00 0.07 0.00 0.00 179.01 179.64 2png s ALA 5 N -3.09 -0.00 0.04 1.06 0.00 -1.26 -5.00 121.76 113.51 2png s ALA 5 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2png s ALA 5 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2png s ALA 5 CO 0.91 -0.04 0.00 0.94 0.00 0.00 0.00 175.76 177.56 2png n GLN 6 N 3.47 -2.81 -1.75 0.00 7.27 -1.26 -4.96 117.38 117.34 2png n GLN 6 Ca -0.18 2.26 -0.33 0.00 0.07 0.00 0.00 57.00 58.82 2png n GLN 6 Cb 0.56 -2.60 0.05 0.00 2.41 0.00 0.00 30.24 30.66 2png n GLN 6 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 2png s ARG 7 N -1.41 2.83 0.04 3.69 1.70 -1.26 -4.35 118.95 120.18 2png s ARG 7 Ca 0.00 1.34 -0.30 0.00 -0.47 0.00 0.00 55.73 56.30 2png s ARG 7 Cb 0.00 -1.96 -0.08 0.00 -0.57 0.00 0.00 34.95 32.34 2png s ARG 7 CO 0.00 -1.22 1.85 0.34 -1.08 0.00 0.00 175.30 175.19 2png s ASP 8 N -2.70 6.50 0.33 -2.89 2.15 -1.26 -4.86 116.67 113.96 2png s ASP 8 Ca 0.66 2.58 0.06 0.00 0.43 0.00 0.00 52.55 56.28 2png s ASP 8 Cb -0.19 -2.54 0.73 0.00 -0.30 0.00 0.00 42.92 40.62 2png s ASP 8 CO 0.42 -1.00 1.85 0.25 -0.17 0.00 0.00 175.17 176.52 2png h LEU 9 N 10.01 0.75 -0.03 -1.34 6.46 -1.90 -1.50 115.31 127.76 2png h LEU 9 Ca -0.46 0.05 -0.18 0.00 -0.12 0.00 0.00 57.88 57.16 2png h LEU 9 Cb 1.22 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2png h LEU 9 CO 0.94 0.37 -0.70 0.58 -0.62 0.00 0.00 178.44 179.02 2png h VAL 10 N 0.79 1.37 0.00 1.05 2.07 -1.89 0.12 116.25 119.77 2png h VAL 10 Ca 0.48 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2png h VAL 10 Cb 0.67 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2png h VAL 10 CO -0.24 0.62 0.00 0.29 0.02 0.00 0.00 177.57 178.26 2png n LYS 11 N -4.12 0.83 -0.02 1.57 5.02 -0.86 -0.10 118.16 120.48 2png n LYS 11 Ca -0.10 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.17 2png n LYS 11 Cb 0.71 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 34.55 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2png n ALA 12 N -0.67 0.44 -0.11 7.82 0.00 -0.62 -4.28 120.51 123.09 2png n ALA 12 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2png n ALA 12 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 2png n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2png h VAL 13 N -0.26 1.20 0.00 0.00 2.07 -0.66 -1.89 116.25 116.71 2png h VAL 13 Ca 0.00 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2png h VAL 13 Cb 0.26 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2png h VAL 13 CO 0.00 0.22 -0.28 0.00 0.02 0.00 0.00 177.57 177.53 2png h ALA 14 N 0.96 1.08 0.00 1.67 0.00 -0.70 -1.74 119.26 120.53 2png h ALA 14 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2png h ALA 14 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2png h ALA 14 CO -0.01 0.35 0.00 1.58 0.00 0.00 0.00 179.25 181.17 2png n HIS 15 N -3.55 0.57 0.03 0.00 -0.00 -0.78 -0.38 115.22 111.12 2png n HIS 15 Ca -0.01 0.17 -0.11 0.00 -0.00 0.00 0.00 57.72 57.77 2png n HIS 15 Cb 0.42 -0.78 0.01 0.00 -0.00 0.00 0.00 29.99 29.65 2png n HIS 15 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2png h ILE 16 N 0.00 1.36 0.00 3.57 1.08 -0.62 -3.28 117.51 119.61 2png h ILE 16 Ca 0.00 -2.08 -0.00 0.00 -0.39 0.00 0.00 64.86 62.38 2png h ILE 16 Cb 0.60 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2png h ILE 16 CO 0.00 0.63 -0.01 -0.07 -0.69 0.00 0.00 178.15 178.02 2png h LEU 17 N 0.34 0.01 0.00 1.44 3.38 -1.46 -3.48 115.31 115.53 2png h LEU 17 Ca -0.03 -0.97 0.00 0.00 0.09 0.00 0.00 57.88 56.97 2png h LEU 17 Cb 1.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2png h LEU 17 CO 0.13 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2png n GLY 18 N 1.53 0.79 3.26 0.83 0.00 0.49 -5.14 105.19 106.95 2png n GLY 18 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2png n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2png s ILE 19 N -1.17 0.25 0.00 -0.61 -4.36 0.41 -4.98 121.20 110.74 2png s ILE 19 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2png s ILE 19 Cb 0.00 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.15 2png s ILE 19 CO 0.00 0.00 0.00 -1.14 0.24 0.00 0.00 174.94 174.04 2png n ARG 20 N -0.37 0.00 0.08 0.37 0.63 -1.26 -3.06 116.66 113.05 2png n ARG 20 Ca 0.01 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.71 2png n ARG 20 Cb 0.66 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.42 2png n ARG 20 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2png h ASP 21 N 0.00 0.62 -4.86 6.15 3.32 -1.98 -3.48 116.42 116.19 2png h ASP 21 Ca 0.00 -0.91 -0.31 0.00 0.02 0.00 0.00 57.03 55.83 2png h ASP 21 Cb 0.00 -0.20 0.11 0.00 0.22 0.00 0.00 39.33 39.46 2png h ASP 21 CO 0.00 1.77 -0.55 0.18 -1.72 0.00 0.00 179.24 178.92 2png n LEU 22 N -3.59 -3.17 -0.33 1.55 7.99 -1.26 -4.91 117.00 113.28 2png n LEU 22 Ca -0.24 -0.44 0.14 0.00 -0.01 0.00 0.00 56.01 55.47 2png n LEU 22 Cb 1.08 -2.53 0.62 0.00 -0.11 0.00 0.00 43.42 42.48 2png n LEU 22 CO 0.52 0.50 0.92 0.00 -1.51 0.00 0.00 177.39 177.82 2png n ALA 23 N -4.40 2.64 0.00 -1.18 0.00 -1.26 -4.25 120.51 112.06 2png n ALA 23 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2png n ALA 23 Cb 0.56 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2png n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 24 N 1.15 0.00 3.75 0.00 0.00 -1.26 -5.09 105.19 103.74 2png n GLY 24 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2png n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2png n ILE 25 N -1.15 2.27 -2.29 -0.61 2.08 -1.26 -4.93 119.36 113.47 2png n ILE 25 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 2png n ILE 25 Cb 0.01 -1.83 -0.03 0.00 -0.75 0.00 0.00 39.64 37.04 2png n ILE 25 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2png s ASN 26 N -0.29 6.93 -0.08 4.38 3.84 -1.26 -4.92 114.94 123.54 2png s ASN 26 Ca 0.56 2.12 0.18 0.00 0.21 0.00 0.00 52.86 55.93 2png s ASN 26 Cb -0.49 -2.57 0.61 0.00 -0.55 0.00 0.00 41.25 38.25 2png s ASN 26 CO 0.61 -0.61 1.52 0.18 -2.79 0.00 0.00 177.10 176.02 2png n LEU 27 N 4.49 4.18 -0.65 3.21 4.77 -1.26 -3.97 117.00 127.77 2png n LEU 27 Ca 0.11 -2.33 0.07 0.00 -0.03 0.00 0.00 56.01 53.83 2png n LEU 27 Cb 0.44 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 41.14 2png n LEU 27 CO 0.57 0.82 0.53 -0.90 -1.33 0.00 0.00 177.39 177.08 2png n ASP 28 N 0.95 2.48 -4.73 -1.43 5.68 -1.26 -4.76 116.55 113.48 2png n ASP 28 Ca 0.22 -1.71 -0.41 0.00 -0.50 0.00 0.00 54.79 52.39 2png n ASP 28 Cb 0.75 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.62 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2png s SER 29 N -1.17 7.36 0.53 -1.12 0.01 -1.25 -5.01 113.70 113.04 2png s SER 29 Ca 0.21 1.89 -0.22 0.00 1.31 0.00 0.00 55.95 59.14 2png s SER 29 Cb 0.13 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2png s SER 29 CO 0.19 -0.19 1.34 -0.44 0.41 0.00 0.00 173.24 174.55 2png s SER 30 N 0.23 5.41 0.51 2.44 0.01 -1.26 -4.30 113.70 116.74 2png s SER 30 Ca 0.50 2.72 0.16 0.00 1.31 0.00 0.00 55.95 60.63 2png s SER 30 Cb -0.26 -2.63 1.22 0.00 0.21 0.00 0.00 66.02 64.56 2png s SER 30 CO 0.31 -1.47 2.12 0.25 0.41 0.00 0.00 173.24 174.86 2png h LEU 31 N 1.58 0.01 -1.08 2.44 5.85 -0.67 -0.01 115.31 123.42 2png h LEU 31 Ca -0.51 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 2png h LEU 31 Cb 1.29 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2png h LEU 31 CO 0.58 0.03 -0.41 0.00 -0.34 0.00 0.00 178.44 178.31 2png h ALA 32 N 1.97 1.23 0.00 1.25 0.00 -1.79 -1.91 119.26 120.01 2png h ALA 32 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2png h ALA 32 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2png h ALA 32 CO 0.00 0.55 0.00 -0.44 0.00 0.00 0.00 179.25 179.36 2png h ASP 33 N 0.09 0.00 1.29 0.00 5.19 -1.30 -2.26 116.42 119.43 2png h ASP 33 Ca 0.01 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 2png h ASP 33 Cb 0.76 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2png h ASP 33 CO 0.06 0.00 -0.74 -0.07 -3.12 0.00 0.00 179.24 175.37 2png h LEU 34 N 0.00 0.00 0.00 1.55 4.07 -1.28 -3.47 115.31 116.18 2png h LEU 34 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2png h LEU 34 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2png h LEU 34 CO 0.00 0.44 0.00 0.61 -1.08 0.00 0.00 178.44 178.41 2png n GLY 35 N 1.26 -0.61 3.63 0.83 0.00 -0.85 -5.08 105.19 104.36 2png n GLY 35 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2png n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2png s LEU 36 N 0.00 3.97 0.00 0.99 2.96 -1.08 -4.55 118.68 120.98 2png s LEU 36 Ca 0.00 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 2png s LEU 36 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2png s LEU 36 CO 0.00 -1.36 0.00 -0.67 -1.32 0.00 0.00 176.35 173.00 2png n ASP 37 N 8.94 0.00 0.00 3.68 2.03 -1.26 -4.59 116.55 125.36 2png n ASP 37 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2png n ASP 37 Cb 0.44 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2png n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2png n SER 38 N -2.12 0.00 -0.08 1.67 7.64 -1.26 -4.82 113.62 114.64 2png n SER 38 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2png n SER 38 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 2png n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2png h LEU 39 N 0.00 0.66 0.00 -3.43 5.85 -1.98 0.16 115.31 116.57 2png h LEU 39 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2png h LEU 39 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2png h LEU 39 CO 0.00 0.64 0.00 0.23 -0.34 0.00 0.00 178.44 178.97 2png n MET 40 N -4.31 0.74 -0.00 1.25 2.81 -1.26 -0.43 117.12 115.91 2png n MET 40 Ca 0.03 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2png n MET 40 Cb 0.20 -1.36 -0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2png n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2png n GLY 41 N 0.41 -0.01 0.10 3.03 0.00 -0.33 -4.55 105.19 103.83 2png n GLY 41 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2png n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2png h VAL 42 N 0.00 1.54 -0.17 1.61 2.07 -0.39 -2.60 116.25 118.31 2png h VAL 42 Ca -0.01 -1.93 -0.09 0.00 0.82 0.00 0.00 66.70 65.49 2png h VAL 42 Cb 1.02 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 2png h VAL 42 CO -0.00 0.53 -0.30 -0.08 0.02 0.00 0.00 177.57 177.73 2png h GLU 43 N -0.48 0.34 -0.47 1.57 4.81 -0.98 0.85 114.58 120.21 2png h GLU 43 Ca -0.03 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2png h GLU 43 Cb 1.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2png h GLU 43 CO 0.05 0.62 0.30 0.28 -0.73 0.00 0.00 179.01 179.53 2png h VAL 44 N 0.30 1.13 -0.13 0.32 2.07 -1.71 -0.88 116.25 117.34 2png h VAL 44 Ca 0.04 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2png h VAL 44 Cb 0.69 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2png h VAL 44 CO 0.05 0.12 -0.23 0.03 0.02 0.00 0.00 177.57 177.57 2png h ARG 45 N 0.63 0.23 -0.00 1.57 3.08 -0.93 0.04 114.38 118.99 2png h ARG 45 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2png h ARG 45 Cb -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2png h ARG 45 CO -0.04 0.45 0.00 1.04 -1.07 0.00 0.00 179.97 180.35 2png n GLN 46 N -4.19 1.02 -0.04 0.04 6.02 0.21 -0.45 117.38 119.99 2png n GLN 46 Ca -0.01 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.90 2png n GLN 46 Cb 0.34 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2png n ILE 47 N -0.77 0.94 -0.04 5.09 5.41 -0.47 -4.32 119.36 125.20 2png n ILE 47 Ca 0.14 0.27 -0.11 0.00 1.00 0.00 0.00 62.75 64.05 2png n ILE 47 Cb 0.07 -1.92 -0.05 0.00 -0.71 0.00 0.00 39.64 37.04 2png n ILE 47 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2png h LEU 48 N -0.52 0.22 -0.24 1.39 -0.00 -1.04 0.48 115.31 115.60 2png h LEU 48 Ca 0.00 -0.12 -0.18 0.00 -0.00 0.00 0.00 57.88 57.58 2png h LEU 48 Cb 0.52 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 2png h LEU 48 CO 0.00 0.27 -0.88 -0.08 -0.00 0.00 0.00 178.44 177.75 2png h GLU 49 N 0.15 0.00 0.04 1.13 4.81 -0.33 0.93 114.58 121.31 2png h GLU 49 Ca 0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2png h GLU 49 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2png h GLU 49 CO -0.01 0.88 -0.02 -0.09 -0.73 0.00 0.00 179.01 179.04 2png h ARG 50 N 0.00 -0.06 0.00 1.92 2.43 -1.50 -1.14 114.38 116.03 2png h ARG 50 Ca -0.01 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 2png h ARG 50 Cb 1.56 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.09 2png h ARG 50 CO 0.11 0.58 -1.21 0.93 -1.51 0.00 0.00 179.97 178.88 2png h GLU 51 N -0.89 0.00 0.00 0.20 4.39 -1.02 -3.39 114.58 113.87 2png h GLU 51 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2png h GLU 51 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2png h GLU 51 CO 0.01 0.77 0.00 0.72 -1.16 0.00 0.00 179.01 179.35 2png n HIS 52 N -3.22 0.00 -1.66 4.33 8.25 -0.63 -5.03 115.22 117.26 2png n HIS 52 Ca -0.06 -0.03 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 2png n HIS 52 Cb 0.95 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.01 2png n HIS 52 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2png n ASP 53 N -0.03 -4.81 -4.53 0.41 9.92 0.06 -4.90 116.55 112.68 2png n ASP 53 Ca 0.00 0.28 -0.43 0.00 -0.53 0.00 0.00 54.79 54.12 2png n ASP 53 Cb 0.24 -3.74 -0.04 0.00 -0.64 0.00 0.00 41.12 36.95 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2png s LEU 54 N -3.75 3.91 -0.88 0.64 1.02 0.10 -4.75 118.68 114.97 2png s LEU 54 Ca 0.00 -0.38 -0.25 0.00 0.02 0.00 0.00 54.13 53.52 2png s LEU 54 Cb 0.00 -2.80 0.04 0.00 0.02 0.00 0.00 46.19 43.45 2png s LEU 54 CO 0.00 -1.38 1.36 -0.69 0.02 0.00 0.00 176.35 175.66 2png s VAL 55 N 4.37 3.82 -0.44 -1.59 1.01 -1.26 -2.29 120.40 124.02 2png s VAL 55 Ca 0.32 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 2png s VAL 55 Cb -0.12 -4.99 0.04 0.00 0.00 0.00 0.00 36.38 31.31 2png s VAL 55 CO 0.18 -1.90 0.42 -0.76 0.00 0.00 0.00 175.10 173.05 2png s LEU 56 N 5.35 5.07 0.64 3.92 1.43 -1.26 -5.06 118.68 128.77 2png s LEU 56 Ca 0.40 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2png s LEU 56 Cb -0.04 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2png s LEU 56 CO 0.03 -0.60 1.15 -2.84 0.23 0.00 0.00 176.35 174.31 2png s PRO 57 N 2.01 2.79 0.52 1.29 0.02 -1.26 -4.80 135.00 135.57 2png s PRO 57 Ca 0.09 1.58 0.24 0.00 0.02 0.00 0.00 61.00 62.93 2png s PRO 57 Cb -0.19 -1.93 1.40 0.00 0.02 0.00 0.00 34.50 33.80 2png s PRO 57 CO 0.11 -1.29 2.10 0.82 -0.33 0.00 0.00 177.00 178.41 2png h ILE 58 N 0.32 0.74 0.00 2.83 5.03 -1.97 0.12 117.51 124.58 2png h ILE 58 Ca -0.48 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 2png h ILE 58 Cb 1.27 1.24 0.00 0.00 -3.03 0.00 0.00 36.82 36.30 2png h ILE 58 CO 0.54 0.10 0.00 -2.11 -0.68 0.00 0.00 178.15 176.00 2png n ARG 59 N -3.93 0.12 -0.12 2.37 0.00 -1.26 -0.18 116.66 113.66 2png n ARG 59 Ca -0.02 0.48 -0.26 0.00 -0.00 0.00 0.00 57.85 58.05 2png n ARG 59 Cb 0.19 -1.79 -0.09 0.00 -0.00 0.00 0.00 32.46 30.77 2png n ARG 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2png n GLU 60 N -2.03 0.53 -0.19 2.89 -0.58 0.30 -4.62 120.64 116.94 2png n GLU 60 Ca 0.01 0.22 0.09 0.00 -0.42 0.00 0.00 57.16 57.06 2png n GLU 60 Cb 0.12 -1.39 0.38 0.00 -0.57 0.00 0.00 31.44 29.99 2png n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2png h VAL 61 N -0.80 0.96 0.00 2.62 2.07 -0.75 -2.05 116.25 118.29 2png h VAL 61 Ca -0.62 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2png h VAL 61 Cb 1.57 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2png h VAL 61 CO -0.35 0.13 0.00 0.03 0.02 0.00 0.00 177.57 177.39 2png h ARG 62 N 0.69 0.00 -0.22 1.57 3.08 -0.82 -1.18 114.38 117.50 2png h ARG 62 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2png h ARG 62 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2png h ARG 62 CO -0.12 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.82 2png n GLN 63 N -3.00 2.20 -2.60 0.04 3.00 -0.77 -0.32 117.38 115.93 2png n GLN 63 Ca -0.03 -2.01 -0.43 0.00 -0.01 0.00 0.00 57.00 54.53 2png n GLN 63 Cb 0.08 -1.44 -0.02 0.00 0.00 0.00 0.00 30.24 28.86 2png n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2png s LEU 64 N -1.55 3.67 0.00 1.08 1.43 -0.45 -4.69 118.68 118.17 2png s LEU 64 Ca 0.31 0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2png s LEU 64 Cb 0.19 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.63 2png s LEU 64 CO 0.28 -1.22 3.40 0.35 0.23 0.00 0.00 176.35 179.39 2png n THR 65 N 6.74 2.82 0.00 5.49 -2.24 -1.26 -3.34 114.28 122.49 2png n THR 65 Ca 0.12 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 2png n THR 65 Cb 0.49 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 2png n THR 65 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2png n LEU 66 N 2.43 0.00 0.24 3.22 -0.00 -1.26 -3.77 117.00 117.85 2png n LEU 66 Ca 0.38 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.52 2png n LEU 66 Cb 0.86 0.00 0.42 0.00 -0.00 0.00 0.00 43.42 44.70 2png n LEU 66 CO 0.11 0.00 0.86 0.03 -0.00 0.00 0.00 177.39 178.39 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.90 -2.52 114.38 114.39 2png h ARG 67 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2png h ARG 67 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2png h ARG 67 CO 0.00 0.08 -0.11 -0.22 0.56 0.00 0.00 179.97 180.28 2png h LYS 68 N 0.00 0.00 -0.04 0.04 3.64 -1.89 -2.16 116.57 116.17 2png h LYS 68 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2png h LYS 68 Cb 0.78 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2png h LYS 68 CO 0.01 0.11 0.21 -0.07 -2.27 0.00 0.00 179.45 177.44 2png h LEU 69 N 0.00 0.00 -0.77 5.20 -0.00 -1.77 -0.82 115.31 117.15 2png h LEU 69 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2png h LEU 69 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2png h LEU 69 CO 0.01 0.00 -0.37 1.56 -0.00 0.00 0.00 178.44 179.64 2png h GLN 70 N 0.00 0.49 -0.09 1.13 4.20 -1.58 -1.89 115.11 117.38 2png h GLN 70 Ca 0.02 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2png h GLN 70 Cb 0.44 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2png h GLN 70 CO -0.00 0.79 0.00 -1.91 -0.67 0.00 0.00 178.83 177.04 2png n GLU 71 N -4.04 1.79 -0.29 1.46 4.07 -0.34 -3.29 120.64 120.00 2png n GLU 71 Ca -0.01 -1.17 0.08 0.00 -0.06 0.00 0.00 57.16 56.00 2png n GLU 71 Cb 0.49 -1.45 0.15 0.00 -0.06 0.00 0.00 31.44 30.57 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2png n MET 72 N 0.40 1.30 0.20 5.31 2.81 -0.88 -4.71 117.12 121.55 2png n MET 72 Ca 0.18 -2.74 0.10 0.00 -1.81 0.00 0.00 57.70 53.43 2png n MET 72 Cb 0.38 -1.46 0.13 0.00 -0.71 0.00 0.00 33.22 31.56 2png n MET 72 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2png h SER 73 N 0.34 0.00 0.00 7.83 4.64 -1.35 -3.47 113.55 121.55 2png h SER 73 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2png h SER 73 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2png h SER 73 CO 0.00 0.13 0.00 -0.24 -0.87 0.00 0.00 176.83 175.85 2png n SER 74 N -3.12 -0.80 -4.86 4.97 2.88 -1.26 -4.92 113.62 106.52 2png n SER 74 Ca 0.03 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.21 2png n SER 74 Cb 0.58 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.71 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2png s LYS 75 N -0.07 3.39 -0.06 -1.46 1.02 -1.26 -5.06 119.74 116.24 2png s LYS 75 Ca 0.00 -0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.52 2png s LYS 75 Cb 0.00 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 2png s LYS 75 CO 0.00 0.77 1.17 0.00 -0.92 0.00 0.00 175.35 176.36 2png s ALA 76 N -1.03 3.48 -0.04 5.17 0.00 -1.26 -4.90 121.76 123.17 2png s ALA 76 Ca 0.15 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 2png s ALA 76 Cb -0.12 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 2png s ALA 76 CO 0.04 -0.73 2.82 0.41 0.00 0.00 0.00 175.76 178.30 2png n GLY 77 N 3.32 2.93 2.53 0.00 0.00 -1.26 -3.79 105.19 108.91 2png n GLY 77 Ca 0.11 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2png n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2png n SER 78 N 1.87 6.95 -0.03 1.61 7.64 -1.26 -4.50 113.62 125.90 2png n SER 78 Ca 0.25 -2.84 -0.01 0.00 1.01 0.00 0.00 58.87 57.27 2png n SER 78 Cb 0.71 -1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2png n SER 78 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2png h ASP 79 N 5.24 0.00 -6.56 6.43 3.58 -1.98 -3.42 116.42 119.71 2png h ASP 79 Ca 0.70 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 57.74 2png h ASP 79 Cb 0.42 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.48 2png h ASP 79 CO 1.72 0.31 -1.13 0.41 -2.88 0.00 0.00 179.24 177.67 2png n THR 80 N -3.36 -4.11 0.21 2.25 -1.04 -1.26 -4.90 114.28 102.08 2png n THR 80 Ca -0.02 0.07 0.10 0.00 -2.04 0.00 0.00 64.05 62.17 2png n THR 80 Cb 0.08 -3.55 0.16 0.00 -1.82 0.00 0.00 70.33 65.20 2png n THR 80 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2png h GLU 81 N 1.29 0.00 -6.38 -2.82 4.11 -1.99 -3.43 114.58 105.37 2png h GLU 81 Ca -0.56 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.31 2png h GLU 81 Cb 1.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 2png h GLU 81 CO 0.27 0.09 1.16 -0.51 0.07 0.00 0.00 179.01 180.10 2png s LEU 82 N -6.26 3.49 -0.05 3.06 1.02 -1.26 -4.75 118.68 113.93 2png s LEU 82 Ca 0.06 0.75 0.14 0.00 0.02 0.00 0.00 54.13 55.11 2png s LEU 82 Cb 0.06 -3.30 -0.21 0.00 0.02 0.00 0.00 46.19 42.75 2png s LEU 82 CO 0.68 -1.68 0.25 0.00 0.02 0.00 0.00 176.35 175.63 2png n ALA 83 N 9.81 2.32 -3.70 4.21 0.00 -1.26 -4.93 120.51 126.95 2png n ALA 83 Ca 0.17 -0.49 -0.19 0.00 0.00 0.00 0.00 53.44 52.93 2png n ALA 83 Cb 0.48 -0.39 -0.17 0.00 0.00 0.00 0.00 19.45 19.38 2png n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2png s ALA 84 N -2.85 0.48 0.22 0.00 0.00 -1.26 -5.13 121.76 113.22 2png s ALA 84 Ca -0.06 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 2png s ALA 84 Cb 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 2png s ALA 84 CO 0.60 -0.18 1.20 -2.14 0.00 0.00 0.00 175.76 175.24 2png s PRO 85 N 1.30 4.49 0.00 0.00 0.02 -1.26 -4.93 135.00 134.63 2png s PRO 85 Ca -0.06 1.92 0.21 0.00 0.02 0.00 0.00 61.00 63.09 2png s PRO 85 Cb -0.13 -3.21 0.04 0.00 0.02 0.00 0.00 34.50 31.22 2png s PRO 85 CO -0.02 -0.06 1.07 1.63 -0.33 0.00 0.00 177.00 179.29 2png n LYS 86 N 2.12 1.56 -0.15 5.54 5.02 -1.26 -3.94 118.16 127.04 2png n LYS 86 Ca 0.03 -1.20 -0.08 0.00 -2.02 0.00 0.00 58.31 55.04 2png n LYS 86 Cb 0.44 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2png n LYS 86 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2png h SER 87 N 2.86 0.57 -4.57 4.39 0.02 -2.08 -3.44 113.55 111.30 2png h SER 87 Ca 0.00 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2png h SER 87 Cb 0.76 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 62.96 2png h SER 87 CO 0.00 0.52 0.38 -0.75 -1.14 0.00 0.00 176.83 175.84 2png s LYS 88 N -5.77 0.84 0.00 3.45 2.20 -1.26 -5.34 119.74 113.86 2png s LYS 88 Ca -0.13 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 2png s LYS 88 Cb 0.11 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.82 2png s LYS 88 CO 0.75 -0.28 0.17 -1.71 -0.36 0.00 0.00 175.35 173.92