#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png s ASP 2 N 0.00 -0.25 0.26 1.61 2.15 -1.26 -5.00 116.67 114.19 2png s ASP 2 Ca 0.00 0.60 0.00 0.00 0.43 0.00 0.00 52.55 53.58 2png s ASP 2 Cb 0.00 1.42 0.00 0.00 -0.30 0.00 0.00 42.92 44.04 2png s ASP 2 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2png n GLY 3 N 5.39 -0.72 2.98 2.66 0.00 -1.26 -5.08 105.19 109.16 2png n GLY 3 Ca -0.05 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2png n GLY 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2png s GLU 4 N -2.00 0.39 0.13 1.61 -1.05 -1.26 -4.94 118.70 111.59 2png s GLU 4 Ca 0.00 0.66 -0.08 0.00 -0.15 0.00 0.00 54.97 55.40 2png s GLU 4 Cb 0.00 -0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.40 2png s GLU 4 CO 0.00 -0.62 1.36 0.00 0.95 0.00 0.00 175.26 176.95 2png h ALA 5 N 8.14 0.43 -2.61 -0.84 0.00 -1.98 -3.45 119.26 118.96 2png h ALA 5 Ca -0.20 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 53.97 2png h ALA 5 Cb 1.15 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.71 2png h ALA 5 CO 0.26 0.72 -0.36 -0.65 0.00 0.00 0.00 179.25 179.23 2png s GLN 6 N -3.67 0.60 -0.07 0.00 -0.21 -1.26 -5.07 119.66 109.97 2png s GLN 6 Ca -0.08 -0.27 -0.14 0.00 0.02 0.00 0.00 55.36 54.89 2png s GLN 6 Cb 0.09 0.26 -0.29 0.00 1.00 0.00 0.00 33.01 34.07 2png s GLN 6 CO 0.88 -0.16 0.65 0.07 -2.12 0.00 0.00 175.29 174.61 2png h ARG 7 N 4.03 0.33 0.00 2.91 -0.00 -1.99 -3.49 114.38 116.17 2png h ARG 7 Ca -0.30 -0.56 0.00 0.00 -0.00 0.00 0.00 59.98 59.12 2png h ARG 7 Cb 1.18 0.21 0.00 0.00 -0.00 0.00 0.00 29.97 31.36 2png h ARG 7 CO 0.40 1.27 0.00 -3.47 -0.00 0.00 0.00 179.97 178.17 2png n ASP 8 N -3.79 0.00 0.01 0.08 2.03 -1.26 -4.94 116.55 108.68 2png n ASP 8 Ca -0.24 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 54.95 2png n ASP 8 Cb 0.98 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.24 2png n ASP 8 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2png h LEU 9 N 0.00 0.15 -0.17 -2.67 3.38 -1.89 -3.30 115.31 110.81 2png h LEU 9 Ca 0.00 -0.28 -0.23 0.00 0.09 0.00 0.00 57.88 57.46 2png h LEU 9 Cb 0.00 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2png h LEU 9 CO 0.00 1.25 -0.84 0.58 0.09 0.00 0.00 178.44 179.52 2png h VAL 10 N 0.03 1.30 0.00 1.22 2.07 -1.86 0.29 116.25 119.30 2png h VAL 10 Ca -0.27 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2png h VAL 10 Cb 1.99 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.87 2png h VAL 10 CO 0.10 0.65 0.00 0.29 0.02 0.00 0.00 177.57 178.63 2png n LYS 11 N -3.89 0.16 -0.06 1.57 4.76 -1.26 -0.55 118.16 118.90 2png n LYS 11 Ca -0.08 0.59 -0.06 0.00 -2.87 0.00 0.00 58.31 55.89 2png n LYS 11 Cb 0.78 -1.96 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2png n ALA 12 N -1.79 1.06 -0.15 7.82 0.00 -1.03 -4.21 120.51 122.21 2png n ALA 12 Ca -0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.74 2png n ALA 12 Cb 0.09 0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.70 1.13 0.00 0.00 2.07 -0.35 -1.34 116.25 117.06 2png h VAL 13 Ca 0.00 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2png h VAL 13 Cb 0.70 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2png h VAL 13 CO 0.00 0.13 -0.48 0.00 0.02 0.00 0.00 177.57 177.24 2png h ALA 14 N 1.14 1.05 -0.01 1.67 0.00 -1.01 -2.41 119.26 119.68 2png h ALA 14 Ca 0.16 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2png h ALA 14 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2png h ALA 14 CO -0.03 0.59 -0.41 1.25 0.00 0.00 0.00 179.25 180.65 2png h HIS 15 N 0.00 0.03 -0.79 0.00 6.17 -1.01 0.32 115.15 119.88 2png h HIS 15 Ca -0.00 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 2png h HIS 15 Cb 0.94 -0.01 -0.04 0.00 2.52 0.00 0.00 27.41 30.82 2png h HIS 15 CO 0.00 0.44 0.40 0.82 0.71 0.00 0.00 177.93 180.29 2png h ILE 16 N 0.03 1.24 0.14 6.26 1.08 -0.77 -2.84 117.51 122.64 2png h ILE 16 Ca -0.00 -0.65 -0.29 0.00 -0.39 0.00 0.00 64.86 63.53 2png h ILE 16 Cb 0.74 0.21 0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2png h ILE 16 CO 0.05 0.28 -1.26 -0.07 -0.69 0.00 0.00 178.15 176.46 2png h LEU 17 N 1.11 0.64 0.00 1.44 3.38 -1.18 -3.48 115.31 117.23 2png h LEU 17 Ca 0.27 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2png h LEU 17 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2png h LEU 17 CO -0.04 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2png n GLY 18 N 1.46 1.96 3.33 0.83 0.00 0.78 -5.12 105.19 108.42 2png n GLY 18 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 1.14 0.00 -0.61 -4.36 0.73 -4.97 121.20 111.13 2png s ILE 19 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 2png s ILE 19 Cb 0.00 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.45 2png s ILE 19 CO 0.00 -0.40 0.00 -1.14 0.24 0.00 0.00 174.94 173.64 2png n ARG 20 N -0.40 0.00 0.04 0.37 0.63 -1.26 -2.55 116.66 113.49 2png n ARG 20 Ca -0.06 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.74 2png n ARG 20 Cb 0.63 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.46 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 -0.08 -0.88 6.15 5.19 -1.99 -3.47 116.42 121.34 2png h ASP 21 Ca 0.00 -0.26 -0.27 0.00 -0.62 0.00 0.00 57.03 55.89 2png h ASP 21 Cb 0.00 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 39.44 2png h ASP 21 CO 0.00 0.21 -0.26 0.18 -3.12 0.00 0.00 179.24 176.25 2png n LEU 22 N -5.00 -1.09 0.17 1.55 7.99 -1.26 -4.88 117.00 114.49 2png n LEU 22 Ca -0.08 0.26 0.03 0.00 -0.01 0.00 0.00 56.01 56.20 2png n LEU 22 Cb 0.18 -2.00 0.30 0.00 -0.11 0.00 0.00 43.42 41.79 2png n LEU 22 CO 0.33 -0.58 0.64 0.00 -1.51 0.00 0.00 177.39 176.27 2png h ALA 23 N 0.13 1.08 0.00 -1.18 0.00 -2.02 -3.13 119.26 114.13 2png h ALA 23 Ca -0.28 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 2png h ALA 23 Cb 0.93 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.45 2png h ALA 23 CO 0.39 0.56 -0.74 0.41 0.00 0.00 0.00 179.25 179.88 2png n GLY 24 N 0.05 2.22 3.35 0.00 0.00 -1.26 -5.03 105.19 104.52 2png n GLY 24 Ca -0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2png n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2png s ILE 25 N -1.01 2.16 0.03 -0.61 -1.09 -1.19 -5.09 121.20 114.40 2png s ILE 25 Ca 0.29 -1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 57.02 2png s ILE 25 Cb 0.31 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 39.30 2png s ILE 25 CO -0.10 0.36 1.19 0.20 -1.23 0.00 0.00 174.94 175.37 2png s ASN 26 N -1.25 7.08 0.00 3.58 -0.87 -1.26 -4.87 114.94 117.34 2png s ASN 26 Ca 0.12 1.95 0.25 0.00 -1.57 0.00 0.00 52.86 53.61 2png s ASN 26 Cb -0.10 -2.57 0.44 0.00 -0.02 0.00 0.00 41.25 39.00 2png s ASN 26 CO 0.02 -0.49 1.37 0.18 -2.57 0.00 0.00 177.10 175.61 2png n LEU 27 N 4.29 0.56 -0.74 0.60 4.77 -1.26 -3.60 117.00 121.61 2png n LEU 27 Ca 0.09 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2png n LEU 27 Cb 0.46 -0.22 0.30 0.00 -2.33 0.00 0.00 43.42 41.63 2png n LEU 27 CO 0.55 0.14 0.74 -0.90 -1.33 0.00 0.00 177.39 176.59 2png n ASP 28 N -1.48 2.32 -4.65 -1.43 5.68 -1.26 -4.58 116.55 111.15 2png n ASP 28 Ca 0.06 -1.77 -0.39 0.00 -0.50 0.00 0.00 54.79 52.18 2png n ASP 28 Cb 0.34 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.97 6.53 0.67 -1.12 0.01 -1.24 -4.98 113.70 111.60 2png s SER 29 Ca 0.33 0.63 -0.12 0.00 1.31 0.00 0.00 55.95 58.10 2png s SER 29 Cb 0.20 -2.29 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 2png s SER 29 CO 0.31 -0.20 1.06 -0.44 0.41 0.00 0.00 173.24 174.38 2png s SER 30 N 1.24 5.50 0.62 2.44 0.01 -1.26 -3.74 113.70 118.52 2png s SER 30 Ca 0.23 1.64 0.38 0.00 1.31 0.00 0.00 55.95 59.51 2png s SER 30 Cb -0.15 -2.50 2.10 0.00 0.21 0.00 0.00 66.02 65.68 2png s SER 30 CO 0.09 -1.36 2.30 -0.07 0.41 0.00 0.00 173.24 174.61 2png h LEU 31 N -0.48 0.00 -1.33 2.44 3.38 -0.31 0.16 115.31 119.17 2png h LEU 31 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2png h LEU 31 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2png h LEU 31 CO 0.57 0.01 -0.33 0.00 0.09 0.00 0.00 178.44 178.78 2png h ALA 32 N 1.99 1.41 -0.02 1.53 0.00 -1.03 0.15 119.26 123.29 2png h ALA 32 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2png h ALA 32 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2png h ALA 32 CO 0.00 0.42 -0.72 -0.44 0.00 0.00 0.00 179.25 178.51 2png h ASP 33 N 0.00 0.12 0.07 0.00 3.32 -0.95 -3.29 116.42 115.68 2png h ASP 33 Ca -0.00 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2png h ASP 33 Cb 0.60 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2png h ASP 33 CO 0.04 0.79 -0.59 -0.07 -1.72 0.00 0.00 179.24 177.69 2png h LEU 34 N 0.07 0.22 0.00 1.55 3.38 -1.34 -3.50 115.31 115.69 2png h LEU 34 Ca -0.01 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2png h LEU 34 Cb 1.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2png h LEU 34 CO 0.10 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2png n GLY 35 N 1.63 0.51 3.70 0.83 0.00 0.49 -5.07 105.19 107.28 2png n GLY 35 Ca -0.15 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2png n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2png s LEU 36 N 0.00 4.29 -0.29 0.99 0.05 -1.14 -5.02 118.68 117.55 2png s LEU 36 Ca 0.00 1.27 0.00 0.00 0.05 0.00 0.00 54.13 55.45 2png s LEU 36 Cb 0.00 -3.21 0.09 0.00 -2.05 0.00 0.00 46.19 41.02 2png s LEU 36 CO 0.00 -0.22 0.05 -0.62 -0.55 0.00 0.00 176.35 175.01 2png s ASP 37 N 0.94 4.05 0.00 1.48 -1.08 -1.26 -4.93 116.67 115.87 2png s ASP 37 Ca 0.40 -1.57 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 2png s ASP 37 Cb -0.18 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.20 2png s ASP 37 CO 0.18 -0.36 0.00 -1.20 0.52 0.00 0.00 175.17 174.32 2png n SER 38 N 4.69 0.00 -0.07 -0.34 7.64 -1.26 -4.08 113.62 120.21 2png n SER 38 Ca -0.04 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.70 2png n SER 38 Cb 0.43 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.76 0.00 -3.43 5.85 -1.97 0.13 115.31 116.65 2png h LEU 39 Ca 0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2png h LEU 39 Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2png h LEU 39 CO 0.00 1.16 0.00 0.23 -0.34 0.00 0.00 178.44 179.49 2png n MET 40 N -4.19 0.29 -0.01 1.25 2.81 -1.26 -0.39 117.12 115.62 2png n MET 40 Ca -0.05 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 2png n MET 40 Cb 0.56 -1.31 -0.01 0.00 -0.71 0.00 0.00 33.22 31.75 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 -0.34 -0.03 0.08 3.03 0.00 -0.74 -4.68 105.19 102.51 2png n GLY 41 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.05 1.30 -0.56 1.61 2.07 -0.20 0.15 116.25 120.57 2png h VAL 42 Ca -0.05 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.58 2png h VAL 42 Cb 1.06 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2png h VAL 42 CO -0.02 0.26 0.25 -0.08 0.02 0.00 0.00 177.57 178.00 2png h GLU 43 N -0.21 0.46 0.42 1.57 4.57 -0.95 0.23 114.58 120.66 2png h GLU 43 Ca 0.02 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2png h GLU 43 Cb 0.43 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2png h GLU 43 CO 0.01 0.30 -0.20 0.28 -1.18 0.00 0.00 179.01 178.22 2png h VAL 44 N 0.47 0.59 -0.59 0.32 2.07 -1.69 -2.55 116.25 114.88 2png h VAL 44 Ca 0.26 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 2png h VAL 44 Cb 0.24 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2png h VAL 44 CO -0.22 0.02 0.18 -0.09 0.02 0.00 0.00 177.57 177.47 2png h ARG 45 N -0.61 0.90 0.00 1.57 2.43 -0.43 -0.45 114.38 117.79 2png h ARG 45 Ca -0.06 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2png h ARG 45 Cb 0.46 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2png h ARG 45 CO 0.09 0.78 0.00 1.04 -1.51 0.00 0.00 179.97 180.37 2png n GLN 46 N -4.28 0.02 -0.09 0.20 1.13 0.74 0.44 117.38 115.54 2png n GLN 46 Ca 0.05 0.20 -0.16 0.00 -1.94 0.00 0.00 57.00 55.15 2png n GLN 46 Cb 0.21 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.99 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2png n ILE 47 N -1.48 1.49 0.13 5.09 5.41 -0.31 -3.99 119.36 125.71 2png n ILE 47 Ca 0.05 0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.71 2png n ILE 47 Cb 0.20 -2.17 -0.08 0.00 -0.71 0.00 0.00 39.64 36.88 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 -1.00 -0.31 0.15 1.39 -0.00 -0.91 -2.04 115.31 112.59 2png h LEU 48 Ca -0.23 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 57.43 2png h LEU 48 Cb 1.02 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2png h LEU 48 CO -0.14 0.08 -0.07 -0.08 -0.00 0.00 0.00 178.44 178.23 2png h GLU 49 N -0.76 -0.19 0.40 1.13 4.81 0.79 0.17 114.58 120.93 2png h GLU 49 Ca -0.04 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2png h GLU 49 Cb 0.50 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2png h GLU 49 CO 0.06 0.17 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.23 2png h ARG 50 N -0.59 -0.52 0.01 1.92 2.43 -1.68 -2.31 114.38 113.65 2png h ARG 50 Ca -0.02 0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 2png h ARG 50 Cb 0.45 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2png h ARG 50 CO 0.03 -0.24 -0.95 0.93 -1.51 0.00 0.00 179.97 178.23 2png h GLU 51 N -0.74 0.03 0.00 0.20 4.39 -1.48 -3.39 114.58 113.60 2png h GLU 51 Ca -0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2png h GLU 51 Cb 0.51 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2png h GLU 51 CO 0.09 1.02 -0.66 0.72 -1.16 0.00 0.00 179.01 179.02 2png n HIS 52 N -4.41 0.02 -3.17 4.33 8.25 -0.43 -4.95 115.22 114.87 2png n HIS 52 Ca -0.25 0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.06 2png n HIS 52 Cb 0.66 -0.20 0.06 0.00 1.12 0.00 0.00 29.99 31.63 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2png n ASP 53 N -1.53 -4.21 -4.12 0.41 2.03 0.12 -4.95 116.55 104.30 2png n ASP 53 Ca 0.05 -0.38 -0.37 0.00 0.52 0.00 0.00 54.79 54.61 2png n ASP 53 Cb 0.34 -3.56 -0.09 0.00 -0.72 0.00 0.00 41.12 37.09 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2png s LEU 54 N -5.15 5.38 -0.84 -2.67 1.02 0.37 -4.89 118.68 111.90 2png s LEU 54 Ca 0.29 -2.76 -0.25 0.00 0.02 0.00 0.00 54.13 51.44 2png s LEU 54 Cb -0.13 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.19 2png s LEU 54 CO 0.49 -0.41 1.68 -0.69 0.02 0.00 0.00 176.35 177.45 2png s VAL 55 N 0.08 3.60 -0.32 -1.59 1.01 -1.26 -1.80 120.40 120.11 2png s VAL 55 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2png s VAL 55 Cb -0.20 -4.42 0.05 0.00 0.00 0.00 0.00 36.38 31.81 2png s VAL 55 CO -0.04 -1.35 0.04 -0.76 0.00 0.00 0.00 175.10 172.99 2png s LEU 56 N 7.78 4.08 0.00 3.92 1.43 -1.26 -5.05 118.68 129.58 2png s LEU 56 Ca 0.57 -1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.30 2png s LEU 56 Cb -0.07 -1.76 0.13 0.00 0.03 0.00 0.00 46.19 44.53 2png s LEU 56 CO 0.05 -0.29 0.65 -2.65 0.23 0.00 0.00 176.35 174.33 2png n PRO 57 N 4.67 -1.21 -0.32 1.29 -0.02 -1.26 -4.66 135.00 133.50 2png n PRO 57 Ca -0.12 -1.01 -0.01 0.00 -2.02 0.00 0.00 63.50 60.33 2png n PRO 57 Cb 0.44 -0.77 0.16 0.00 -0.02 0.00 0.00 33.50 33.31 2png n PRO 57 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2png h ILE 58 N -1.68 1.24 0.00 4.25 5.03 -1.97 0.21 117.51 124.59 2png h ILE 58 Ca -0.22 -0.44 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 2png h ILE 58 Cb 0.63 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 2png h ILE 58 CO 0.15 0.23 0.00 -2.11 -0.68 0.00 0.00 178.15 175.74 2png n ARG 59 N -4.39 0.02 -0.01 2.37 0.00 -1.26 -0.40 116.66 112.99 2png n ARG 59 Ca 0.10 0.37 -0.01 0.00 -0.00 0.00 0.00 57.85 58.32 2png n ARG 59 Cb 0.02 -1.50 -0.01 0.00 -0.00 0.00 0.00 32.46 30.97 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 -1.41 3.48 0.08 2.89 1.02 -0.20 -4.72 120.64 121.79 2png n GLU 60 Ca 0.01 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 2png n GLU 60 Cb 0.03 -1.04 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2png n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2png h VAL 61 N 0.00 1.55 0.00 2.62 2.07 -0.52 -3.31 116.25 118.67 2png h VAL 61 Ca -0.04 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.62 2png h VAL 61 Cb 1.03 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2png h VAL 61 CO 0.00 0.83 0.00 -0.09 0.02 0.00 0.00 177.57 178.33 2png h ARG 62 N 0.07 0.00 -0.69 1.57 2.43 -0.96 -2.22 114.38 114.58 2png h ARG 62 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2png h ARG 62 Cb 1.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2png h ARG 62 CO 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.60 2png n GLN 63 N -2.77 2.69 -1.98 0.20 0.00 -1.24 -0.44 117.38 113.84 2png n GLN 63 Ca 0.01 -2.62 -0.42 0.00 0.00 0.00 0.00 57.00 53.97 2png n GLN 63 Cb 0.29 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 28.94 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 -1.08 4.34 -0.06 2.61 1.43 -0.84 -4.68 118.68 120.40 2png s LEU 64 Ca 0.48 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2png s LEU 64 Cb 0.25 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 43.02 2png s LEU 64 CO 0.34 -0.93 1.26 0.35 0.23 0.00 0.00 176.35 177.60 2png n THR 65 N 5.38 1.44 0.00 5.49 -2.24 -1.26 -0.37 114.28 122.72 2png n THR 65 Ca 0.17 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2png n THR 65 Cb 0.42 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.42 0.00 0.00 3.22 -0.00 -1.24 -4.15 117.00 115.25 2png n LEU 66 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.21 2png n LEU 66 Cb 0.64 0.00 0.60 0.00 -0.00 0.00 0.00 43.42 44.66 2png n LEU 66 CO 0.09 0.00 0.90 0.54 -0.00 0.00 0.00 177.39 178.92 2png n ARG 67 N 0.00 0.29 0.24 1.96 5.12 -1.26 -1.59 116.66 121.42 2png n ARG 67 Ca 0.00 0.06 0.13 0.00 -1.93 0.00 0.00 57.85 56.11 2png n ARG 67 Cb 0.00 -1.50 0.47 0.00 -1.16 0.00 0.00 32.46 30.27 2png n ARG 67 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2png h LYS 68 N 0.00 0.00 -0.51 5.56 3.64 -1.90 -3.02 116.57 120.34 2png h LYS 68 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2png h LYS 68 Cb 0.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2png h LYS 68 CO 0.00 0.12 0.27 -0.07 -2.27 0.00 0.00 179.45 177.50 2png h LEU 69 N 0.00 0.41 -0.02 5.20 -0.00 -1.65 -0.94 115.31 118.30 2png h LEU 69 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2png h LEU 69 Cb 0.74 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2png h LEU 69 CO 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 178.44 178.74 2png n GLN 70 N -4.86 1.01 -0.01 1.13 10.64 -1.14 -1.23 117.38 122.92 2png n GLN 70 Ca 0.04 -0.02 0.08 0.00 -1.83 0.00 0.00 57.00 55.27 2png n GLN 70 Cb 0.12 -1.37 -0.16 0.00 -0.86 0.00 0.00 30.24 27.97 2png n GLN 70 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2png n GLU 71 N -0.85 0.66 -0.16 2.61 2.13 -0.47 -4.22 120.64 120.35 2png n GLU 71 Ca 0.18 -0.15 0.09 0.00 0.66 0.00 0.00 57.16 57.94 2png n GLU 71 Cb 0.09 -1.54 0.14 0.00 0.27 0.00 0.00 31.44 30.40 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2png n MET 72 N -2.35 1.26 0.06 5.31 2.81 -0.57 -4.75 117.12 118.88 2png n MET 72 Ca -0.07 -2.60 -0.18 0.00 -1.81 0.00 0.00 57.70 53.04 2png n MET 72 Cb 0.65 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.12 0.77 -5.68 7.83 4.64 -1.34 -3.49 113.55 116.40 2png h SER 73 Ca -0.00 -0.63 -0.11 0.00 -0.47 0.00 0.00 61.79 60.58 2png h SER 73 Cb 1.02 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2png h SER 73 CO 0.00 1.43 -0.76 -1.20 -0.87 0.00 0.00 176.83 175.43 2png n SER 74 N -3.80 -7.21 0.09 4.97 7.64 -1.26 -4.87 113.62 109.18 2png n SER 74 Ca -0.10 0.40 -0.16 0.00 1.01 0.00 0.00 58.87 60.02 2png n SER 74 Cb 0.88 -4.19 -0.10 0.00 -1.01 0.00 0.00 64.21 59.79 2png n SER 74 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2png h LYS 75 N 2.16 0.36 -5.35 1.43 6.56 -1.95 -3.48 116.57 116.32 2png h LYS 75 Ca -0.16 -0.51 -0.32 0.00 -1.06 0.00 0.00 60.65 58.59 2png h LYS 75 Cb 1.04 0.18 0.15 0.00 -0.57 0.00 0.00 32.23 33.03 2png h LYS 75 CO 0.19 1.20 -0.68 0.00 -2.06 0.00 0.00 179.45 178.11 2png n ALA 76 N -2.56 -1.64 0.00 3.86 0.00 -1.26 -4.90 120.51 114.01 2png n ALA 76 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2png n ALA 76 Cb 0.96 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2png n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 77 N -1.35 -0.88 0.00 0.00 0.00 -1.26 -5.02 105.19 96.68 2png n GLY 77 Ca -0.18 0.67 0.07 0.00 0.00 0.00 0.00 46.02 46.58 2png n GLY 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2png n SER 78 N 0.00 0.00 -2.15 1.61 3.41 -1.26 -2.73 113.62 112.51 2png n SER 78 Ca 0.00 -0.02 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 2png n SER 78 Cb 0.00 -0.23 0.12 0.00 -0.26 0.00 0.00 64.21 63.84 2png n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2png n ASP 79 N -1.23 5.44 0.10 4.04 8.00 -1.26 -4.14 116.55 127.51 2png n ASP 79 Ca 0.07 -3.51 0.00 0.00 0.71 0.00 0.00 54.79 52.07 2png n ASP 79 Cb 0.10 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 40.28 2png n ASP 79 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2png h THR 80 N 0.93 0.96 0.00 -3.53 2.02 -1.88 -2.29 112.91 109.12 2png h THR 80 Ca 0.55 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 65.32 2png h THR 80 Cb 1.79 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 2png h THR 80 CO 1.17 0.54 -0.54 1.21 0.37 0.00 0.00 175.52 178.28 2png n GLU 81 N -3.19 0.03 0.00 6.66 2.13 -1.26 -5.00 120.64 120.02 2png n GLU 81 Ca -0.01 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2png n GLU 81 Cb 0.80 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.99 2png n GLU 81 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2png n LEU 82 N -1.55 0.00 0.00 4.31 4.32 -0.86 -4.77 117.00 118.44 2png n LEU 82 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 2png n LEU 82 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2png n LEU 82 CO 0.36 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.53 2png n ALA 83 N 6.64 0.00 -3.60 -1.18 0.00 -1.26 -4.68 120.51 116.42 2png n ALA 83 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2png n ALA 83 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.00 3.27 -0.70 0.00 0.00 -1.26 -5.03 121.76 116.03 2png s ALA 84 Ca 0.00 -2.46 -0.26 0.00 0.00 0.00 0.00 51.96 49.24 2png s ALA 84 Cb 0.00 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.54 2png s ALA 84 CO 0.00 -1.81 1.19 -1.25 0.00 0.00 0.00 175.76 173.89 2png s PRO 85 N 1.28 3.20 0.08 0.00 0.05 -1.26 -4.83 135.00 133.53 2png s PRO 85 Ca 0.06 -0.34 0.19 0.00 0.05 0.00 0.00 61.00 60.97 2png s PRO 85 Cb -0.24 -4.17 -0.12 0.00 0.05 0.00 0.00 34.50 30.01 2png s PRO 85 CO -0.02 -2.02 0.81 1.63 0.05 0.00 0.00 177.00 177.45 2png n LYS 86 N 8.88 0.62 -3.98 4.56 5.02 -1.26 -4.76 118.16 127.24 2png n LYS 86 Ca 0.02 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 56.10 2png n LYS 86 Cb 0.48 -1.76 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 2png n LYS 86 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2png s SER 87 N -5.48 4.30 0.00 4.39 0.15 -1.26 -4.94 113.70 110.86 2png s SER 87 Ca -0.03 -0.95 0.26 0.00 0.70 0.00 0.00 55.95 55.93 2png s SER 87 Cb 0.09 -1.65 0.64 0.00 -1.71 0.00 0.00 66.02 63.40 2png s SER 87 CO 0.82 -0.14 1.50 0.29 1.20 0.00 0.00 173.24 176.91 2png n LYS 88 N 4.64 0.58 0.00 5.44 5.02 -1.26 -5.24 118.16 127.33 2png n LYS 88 Ca -0.16 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 2png n LYS 88 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2png n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17