#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 0.40 0.00 1.61 2.15 -1.26 -5.07 116.67 114.50 2png s ASP 2 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2png s ASP 2 Cb 0.00 -0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 2png s ASP 2 CO 0.00 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2png n GLY 3 N 2.59 -1.47 3.45 2.66 0.00 -1.26 -5.05 105.19 106.11 2png n GLY 3 Ca -0.16 0.63 -0.44 0.00 0.00 0.00 0.00 46.02 46.06 2png n GLY 3 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2png s GLU 4 N 0.00 3.60 0.11 1.61 2.56 -1.26 -4.71 118.70 120.61 2png s GLU 4 Ca 0.00 -1.75 0.22 0.00 0.00 0.00 0.00 54.97 53.45 2png s GLU 4 Cb 0.00 -4.92 -0.07 0.00 2.00 0.00 0.00 34.13 31.13 2png s GLU 4 CO 0.00 -1.78 0.89 0.00 -0.56 0.00 0.00 175.26 173.81 2png n ALA 5 N 6.59 2.78 -0.81 6.30 0.00 -1.26 -4.61 120.51 129.50 2png n ALA 5 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2png n ALA 5 Cb 0.49 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2png n ALA 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2png n GLN 6 N -2.41 0.00 0.00 0.00 7.27 -1.26 -4.39 117.38 116.59 2png n GLN 6 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2png n GLN 6 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 2png n GLN 6 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2png n ARG 7 N 0.00 0.00 -3.01 3.69 3.00 -1.26 -5.11 116.66 113.97 2png n ARG 7 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2png n ARG 7 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 2png n ARG 7 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2png s ASP 8 N 0.00 6.67 0.22 6.15 2.15 -1.26 -4.92 116.67 125.68 2png s ASP 8 Ca 0.00 0.78 0.21 0.00 0.43 0.00 0.00 52.55 53.96 2png s ASP 8 Cb 0.00 -2.38 0.92 0.00 -0.30 0.00 0.00 42.92 41.16 2png s ASP 8 CO 0.00 -0.48 1.63 0.18 -0.17 0.00 0.00 175.17 176.33 2png n LEU 9 N 5.92 0.52 0.11 -1.34 4.32 -1.26 -1.98 117.00 123.28 2png n LEU 9 Ca 0.02 0.65 -0.18 0.00 -0.02 0.00 0.00 56.01 56.49 2png n LEU 9 Cb 0.48 -0.62 -0.13 0.00 -1.62 0.00 0.00 43.42 41.54 2png n LEU 9 CO 0.46 -0.60 -0.06 0.58 -1.22 0.00 0.00 177.39 176.56 2png h VAL 10 N 0.00 1.43 -0.34 4.08 2.07 -1.88 0.23 116.25 121.85 2png h VAL 10 Ca 0.00 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.65 2png h VAL 10 Cb 0.25 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2png h VAL 10 CO 0.00 0.85 0.00 0.29 0.02 0.00 0.00 177.57 178.73 2png n LYS 11 N -3.62 2.37 0.00 1.57 4.01 -0.84 -2.71 118.16 118.95 2png n LYS 11 Ca -0.10 -1.46 -0.00 0.00 -0.51 0.00 0.00 58.31 56.24 2png n LYS 11 Cb 1.01 -1.56 -0.00 0.00 -0.51 0.00 0.00 35.03 33.97 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2png n ALA 12 N 0.47 2.81 -0.03 7.82 0.00 -1.06 -4.60 120.51 125.92 2png n ALA 12 Ca 0.13 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 2png n ALA 12 Cb 0.51 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.00 1.46 0.00 0.00 2.07 -0.69 -2.59 116.25 116.50 2png h VAL 13 Ca 0.00 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 2png h VAL 13 Cb 0.00 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2png h VAL 13 CO 0.00 0.40 -0.31 0.00 0.02 0.00 0.00 177.57 177.67 2png h ALA 14 N 0.42 1.40 0.00 1.67 0.00 -1.50 -1.09 119.26 120.17 2png h ALA 14 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2png h ALA 14 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2png h ALA 14 CO 0.02 0.39 0.00 1.25 0.00 0.00 0.00 179.25 180.91 2png h HIS 15 N 0.00 0.00 -0.20 0.00 6.17 -1.37 0.28 115.15 120.03 2png h HIS 15 Ca -0.00 0.00 -0.17 0.00 0.71 0.00 0.00 60.37 60.91 2png h HIS 15 Cb 0.58 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.51 2png h HIS 15 CO 0.00 0.00 -0.56 0.82 0.71 0.00 0.00 177.93 178.90 2png h ILE 16 N 0.00 1.31 0.08 6.26 1.08 -0.79 -3.25 117.51 122.21 2png h ILE 16 Ca 0.00 -1.80 -0.30 0.00 -0.39 0.00 0.00 64.86 62.37 2png h ILE 16 Cb 0.46 1.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 2png h ILE 16 CO 0.00 0.56 -1.59 -0.07 -0.69 0.00 0.00 178.15 176.37 2png h LEU 17 N 0.47 0.28 0.00 1.44 3.38 -1.36 -3.48 115.31 116.04 2png h LEU 17 Ca 0.01 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2png h LEU 17 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2png h LEU 17 CO 0.11 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.62 2png n GLY 18 N 1.66 1.99 3.44 0.83 0.00 0.71 -5.13 105.19 108.68 2png n GLY 18 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 2.25 0.00 -0.61 -4.36 0.45 -4.97 121.20 111.95 2png s ILE 19 Ca 0.00 -2.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.05 2png s ILE 19 Cb 0.00 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2png s ILE 19 CO 0.00 -0.44 0.00 -1.14 0.24 0.00 0.00 174.94 173.60 2png n ARG 20 N -0.56 0.00 0.07 0.37 0.63 -1.26 -3.20 116.66 112.71 2png n ARG 20 Ca -0.06 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.77 2png n ARG 20 Cb 0.60 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.39 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 0.14 -4.75 6.15 3.32 -1.98 -3.48 116.42 115.82 2png h ASP 21 Ca 0.00 -0.15 -0.37 0.00 0.02 0.00 0.00 57.03 56.52 2png h ASP 21 Cb 0.00 -0.05 0.09 0.00 0.22 0.00 0.00 39.33 39.59 2png h ASP 21 CO 0.00 1.12 -0.59 0.18 -1.72 0.00 0.00 179.24 178.23 2png n LEU 22 N -3.40 -2.92 0.00 1.55 7.99 -1.26 -4.87 117.00 114.08 2png n LEU 22 Ca -0.03 -0.37 0.14 0.00 -0.01 0.00 0.00 56.01 55.73 2png n LEU 22 Cb 0.97 -2.82 0.61 0.00 -0.11 0.00 0.00 43.42 42.07 2png n LEU 22 CO 0.49 0.39 0.95 0.00 -1.51 0.00 0.00 177.39 177.71 2png n ALA 23 N -4.06 2.30 -2.44 -1.18 0.00 -1.26 -3.34 120.51 110.53 2png n ALA 23 Ca -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.32 2png n ALA 23 Cb 0.59 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 1.40 0.94 2.85 0.00 0.00 -1.26 -5.05 105.19 104.07 2png n GLY 24 Ca 0.07 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.12 0.26 -0.61 -1.09 -1.21 -5.14 121.20 113.53 2png s ILE 25 Ca 0.30 0.04 -0.18 0.00 -2.23 0.00 0.00 60.65 58.57 2png s ILE 25 Cb 0.34 -0.18 -0.09 0.00 -1.58 0.00 0.00 42.46 40.96 2png s ILE 25 CO -0.15 0.09 0.74 0.20 -1.23 0.00 0.00 174.94 174.59 2png s ASN 26 N 0.56 6.98 -0.08 3.58 0.01 -1.26 -4.87 114.94 119.86 2png s ASN 26 Ca -0.05 1.39 0.17 0.00 -0.71 0.00 0.00 52.86 53.65 2png s ASN 26 Cb -0.08 -2.41 0.62 0.00 0.41 0.00 0.00 41.25 39.79 2png s ASN 26 CO -0.01 -0.05 1.51 0.18 -1.51 0.00 0.00 177.10 177.22 2png n LEU 27 N 0.37 4.06 -0.38 0.60 4.77 -1.26 -3.10 117.00 122.06 2png n LEU 27 Ca -0.00 -2.04 0.06 0.00 -0.03 0.00 0.00 56.01 53.99 2png n LEU 27 Cb 0.52 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2png n LEU 27 CO 0.42 0.74 0.34 0.47 -1.33 0.00 0.00 177.39 178.04 2png n ASP 28 N 1.04 1.68 -4.75 -1.43 8.00 -1.26 -4.82 116.55 115.01 2png n ASP 28 Ca 0.22 -1.34 -0.39 0.00 0.71 0.00 0.00 54.79 53.99 2png n ASP 28 Cb 0.74 0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 42.00 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2png s SER 29 N -1.22 7.04 0.56 -2.24 0.01 -1.18 -5.03 113.70 111.64 2png s SER 29 Ca 0.12 1.24 -0.19 0.00 1.31 0.00 0.00 55.95 58.43 2png s SER 29 Cb 0.10 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2png s SER 29 CO 0.21 0.06 1.13 -0.44 0.41 0.00 0.00 173.24 174.61 2png s SER 30 N -0.06 5.61 0.55 2.44 0.01 -1.26 -4.06 113.70 116.93 2png s SER 30 Ca 0.34 2.15 0.22 0.00 1.31 0.00 0.00 55.95 59.96 2png s SER 30 Cb -0.19 -2.58 1.50 0.00 0.21 0.00 0.00 66.02 64.96 2png s SER 30 CO 0.19 -1.29 2.19 0.25 0.41 0.00 0.00 173.24 174.99 2png h LEU 31 N 1.00 0.00 -1.01 2.44 5.85 -0.68 0.13 115.31 123.03 2png h LEU 31 Ca -0.49 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 2png h LEU 31 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2png h LEU 31 CO 0.56 0.00 -0.48 0.00 -0.34 0.00 0.00 178.44 178.19 2png h ALA 32 N 2.00 1.16 0.00 1.25 0.00 -1.71 -2.08 119.26 119.87 2png h ALA 32 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2png h ALA 32 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2png h ALA 32 CO 0.00 0.60 -0.24 -0.44 0.00 0.00 0.00 179.25 179.17 2png h ASP 33 N 0.00 0.00 0.16 0.00 3.32 -1.05 -3.33 116.42 115.52 2png h ASP 33 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2png h ASP 33 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2png h ASP 33 CO 0.06 0.00 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.44 2png h LEU 34 N 0.00 -0.18 0.00 1.55 3.38 -0.84 -3.48 115.31 115.74 2png h LEU 34 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2png h LEU 34 Cb 0.99 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2png h LEU 34 CO 0.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2png n GLY 35 N 0.90 -0.16 3.50 0.83 0.00 -0.83 -5.11 105.19 104.31 2png n GLY 35 Ca -0.06 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.71 0.00 0.99 2.96 -1.12 -4.88 118.68 121.34 2png s LEU 36 Ca 0.00 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2png s LEU 36 Cb 0.00 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.15 2png s LEU 36 CO 0.00 -0.69 0.00 -0.67 -1.32 0.00 0.00 176.35 173.67 2png n ASP 37 N 5.92 0.00 0.12 3.68 2.03 -1.26 -4.91 116.55 122.13 2png n ASP 37 Ca -0.05 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2png n ASP 37 Cb 0.47 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.05 0.04 -0.00 1.67 7.64 -1.26 -4.86 113.62 114.79 2png n SER 38 Ca 0.00 0.39 0.09 0.00 1.01 0.00 0.00 58.87 60.36 2png n SER 38 Cb 0.00 0.26 0.51 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.33 0.00 -3.43 5.85 -1.97 0.19 115.31 116.29 2png h LEU 39 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2png h LEU 39 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2png h LEU 39 CO 0.00 0.22 0.00 0.23 -0.34 0.00 0.00 178.44 178.55 2png n MET 40 N -4.48 0.24 0.00 1.25 2.81 -1.26 -0.61 117.12 115.07 2png n MET 40 Ca 0.06 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2png n MET 40 Cb 0.24 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 -0.21 0.00 0.13 3.03 0.00 0.23 -4.61 105.19 103.76 2png n GLY 41 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 1.33 -0.02 1.61 2.07 -0.40 -2.09 116.25 118.76 2png h VAL 42 Ca 0.00 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.18 2png h VAL 42 Cb 0.77 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2png h VAL 42 CO 0.00 0.36 -0.55 -0.08 0.02 0.00 0.00 177.57 177.32 2png h GLU 43 N -0.01 0.05 -0.38 1.57 4.81 -1.10 -1.17 114.58 118.34 2png h GLU 43 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2png h GLU 43 Cb 0.62 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2png h GLU 43 CO 0.03 0.58 0.25 0.28 -0.73 0.00 0.00 179.01 179.42 2png h VAL 44 N 0.04 1.10 -0.77 0.32 2.07 -1.69 -1.63 116.25 115.69 2png h VAL 44 Ca -0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2png h VAL 44 Cb 0.98 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2png h VAL 44 CO 0.07 0.10 0.50 0.03 0.02 0.00 0.00 177.57 178.29 2png h ARG 45 N 0.51 0.97 0.00 1.57 3.08 -0.86 -0.91 114.38 118.75 2png h ARG 45 Ca 0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2png h ARG 45 Cb -0.05 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.78 2png h ARG 45 CO -0.03 0.64 0.00 1.04 -1.07 0.00 0.00 179.97 180.55 2png n GLN 46 N -4.58 0.39 -0.09 0.04 6.02 -0.49 -0.40 117.38 118.27 2png n GLN 46 Ca 0.08 0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 57.03 2png n GLN 46 Cb 0.05 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.77 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 -1.15 1.50 -0.05 5.09 5.41 -0.54 -4.23 119.36 125.38 2png n ILE 47 Ca 0.10 0.09 -0.14 0.00 1.00 0.00 0.00 62.75 63.81 2png n ILE 47 Cb 0.10 -2.31 -0.07 0.00 -0.71 0.00 0.00 39.64 36.65 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 0.49 -0.37 1.39 -0.00 -1.08 -0.42 115.31 114.31 2png h LEU 48 Ca -0.07 -0.53 -0.16 0.00 -0.00 0.00 0.00 57.88 57.12 2png h LEU 48 Cb 1.06 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 2png h LEU 48 CO -0.04 0.93 -0.39 -0.08 -0.00 0.00 0.00 178.44 178.86 2png h GLU 49 N 0.07 0.92 -0.08 1.13 4.81 -0.05 -0.43 114.58 120.95 2png h GLU 49 Ca 0.01 -0.49 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 2png h GLU 49 Cb 0.83 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.24 2png h GLU 49 CO 0.06 1.14 -0.46 -0.09 -0.73 0.00 0.00 179.01 178.93 2png h ARG 50 N 0.73 0.46 0.16 1.92 2.43 -1.55 -1.90 114.38 116.62 2png h ARG 50 Ca 0.06 -0.38 -0.35 0.00 -0.81 0.00 0.00 59.98 58.50 2png h ARG 50 Cb 0.98 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2png h ARG 50 CO 0.10 1.02 -1.81 0.93 -1.51 0.00 0.00 179.97 178.70 2png h GLU 51 N 0.02 0.33 0.00 0.20 4.39 -1.11 -3.40 114.58 115.01 2png h GLU 51 Ca -0.03 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2png h GLU 51 Cb 1.11 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2png h GLU 51 CO 0.09 1.27 0.00 0.72 -1.16 0.00 0.00 179.01 179.94 2png n HIS 52 N -3.60 0.00 -1.31 4.33 8.25 -0.28 -4.98 115.22 117.63 2png n HIS 52 Ca -0.28 -0.26 -0.11 0.00 -0.26 0.00 0.00 57.72 56.82 2png n HIS 52 Cb 1.04 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.26 -4.59 -4.52 0.41 2.03 -0.68 -4.94 116.55 104.01 2png n ASP 53 Ca 0.00 0.27 -0.42 0.00 0.52 0.00 0.00 54.79 55.16 2png n ASP 53 Cb 0.14 -3.04 -0.03 0.00 -0.72 0.00 0.00 41.12 37.47 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 -2.45 3.62 -0.94 -2.67 1.02 -0.56 -4.81 118.68 111.88 2png s LEU 54 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 54.13 53.23 2png s LEU 54 Cb 0.00 -2.51 0.04 0.00 0.02 0.00 0.00 46.19 43.74 2png s LEU 54 CO 0.00 -1.68 1.43 -0.69 0.02 0.00 0.00 176.35 175.43 2png s VAL 55 N 5.10 3.85 -0.49 -1.59 1.01 -1.26 -1.95 120.40 125.06 2png s VAL 55 Ca 0.31 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2png s VAL 55 Cb -0.11 -4.97 0.06 0.00 0.00 0.00 0.00 36.38 31.36 2png s VAL 55 CO 0.12 -1.87 0.53 -0.76 0.00 0.00 0.00 175.10 173.12 2png s LEU 56 N 5.41 5.23 0.89 3.92 1.43 -1.26 -5.06 118.68 129.24 2png s LEU 56 Ca 0.45 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 2png s LEU 56 Cb -0.02 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 43.98 2png s LEU 56 CO -0.03 -0.79 1.09 -2.84 0.23 0.00 0.00 176.35 174.01 2png s PRO 57 N 2.22 1.29 0.45 1.29 0.02 -1.26 -4.75 135.00 134.27 2png s PRO 57 Ca 0.11 0.75 0.31 0.00 0.02 0.00 0.00 61.00 62.19 2png s PRO 57 Cb -0.21 -1.82 1.49 0.00 0.02 0.00 0.00 34.50 33.98 2png s PRO 57 CO 0.10 -2.20 1.94 0.82 -0.33 0.00 0.00 177.00 177.33 2png h ILE 58 N -1.52 0.00 0.00 2.83 5.03 -1.97 0.11 117.51 122.00 2png h ILE 58 Ca -0.50 -0.20 -0.03 0.00 -0.12 0.00 0.00 64.86 64.02 2png h ILE 58 Cb 1.29 1.01 -0.00 0.00 -3.03 0.00 0.00 36.82 36.08 2png h ILE 58 CO 0.56 0.00 -0.13 0.03 -0.68 0.00 0.00 178.15 177.92 2png h ARG 59 N 0.00 0.00 0.03 2.37 -0.00 -2.01 0.35 114.38 115.12 2png h ARG 59 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.98 59.09 2png h ARG 59 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.14 2png h ARG 59 CO 0.00 0.13 -2.34 0.39 0.00 0.00 0.00 179.97 178.15 2png n GLU 60 N -3.77 0.66 -0.22 0.04 -0.58 0.27 -4.48 120.64 112.55 2png n GLU 60 Ca -0.02 0.21 0.09 0.00 -0.42 0.00 0.00 57.16 57.02 2png n GLU 60 Cb 0.24 -1.57 0.36 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.16 0.94 0.00 2.62 2.07 -0.86 -2.12 116.25 118.73 2png h VAL 61 Ca -0.56 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2png h VAL 61 Cb 1.86 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2png h VAL 61 CO -0.10 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.16 2png n ARG 62 N -4.51 0.04 -0.13 1.57 1.74 0.08 -1.39 116.66 114.06 2png n ARG 62 Ca 0.14 0.35 0.09 0.00 -0.77 0.00 0.00 57.85 57.66 2png n ARG 62 Cb 0.34 -1.58 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 2png n ARG 62 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2png n GLN 63 N -1.65 2.07 -2.11 5.56 3.00 -0.80 -0.75 117.38 122.71 2png n GLN 63 Ca 0.02 -1.93 -0.41 0.00 -0.01 0.00 0.00 57.00 54.67 2png n GLN 63 Cb 0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 30.24 28.96 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 -1.27 3.42 0.00 1.08 1.43 -0.48 -4.53 118.68 118.33 2png s LEU 64 Ca 0.28 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 2png s LEU 64 Cb 0.17 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2png s LEU 64 CO 0.24 -1.93 1.58 0.35 0.23 0.00 0.00 176.35 176.81 2png n THR 65 N 7.23 1.58 0.00 5.49 -2.24 -1.26 -2.61 114.28 122.47 2png n THR 65 Ca 0.20 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2png n THR 65 Cb 0.49 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 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 1.30 0.00 0.18 3.22 -0.00 -1.26 -3.96 117.00 116.48 2png n LEU 66 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 2png n LEU 66 Cb 0.45 0.00 0.42 0.00 -0.00 0.00 0.00 43.42 44.29 2png n LEU 66 CO 0.00 0.00 0.88 0.03 -0.00 0.00 0.00 177.39 178.30 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.89 -1.70 114.38 115.21 2png h ARG 67 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 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 0.00 0.00 -0.22 0.56 0.00 0.00 179.97 180.31 2png h LYS 68 N 0.00 0.00 -0.39 0.04 3.64 -1.89 -1.75 116.57 116.21 2png h LYS 68 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2png h LYS 68 Cb 0.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2png h LYS 68 CO 0.00 0.00 0.10 -0.07 -2.27 0.00 0.00 179.45 177.21 2png h LEU 69 N 0.00 0.58 -0.08 5.20 -0.00 -1.64 0.84 115.31 120.21 2png h LEU 69 Ca 0.00 -0.22 -0.20 0.00 -0.00 0.00 0.00 57.88 57.45 2png h LEU 69 Cb 0.40 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2png h LEU 69 CO 0.00 0.66 -0.96 0.06 -0.00 0.00 0.00 178.44 178.20 2png h GLN 70 N 0.49 0.00 -0.72 1.13 3.07 -1.64 -1.66 115.11 115.78 2png h GLN 70 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.82 2png h GLN 70 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 2png h GLN 70 CO -0.00 0.96 0.30 1.49 0.09 0.00 0.00 178.83 181.67 2png h GLU 71 N 0.00 1.06 -0.33 0.06 4.81 -1.04 -2.63 114.58 116.51 2png h GLU 71 Ca -0.01 -0.17 -0.24 0.00 -0.13 0.00 0.00 59.36 58.80 2png h GLU 71 Cb 1.70 -0.18 -0.21 0.00 0.63 0.00 0.00 28.75 30.69 2png h GLU 71 CO 0.13 0.85 -0.68 0.00 -0.73 0.00 0.00 179.01 178.58 2png n MET 72 N -4.30 2.37 0.28 1.92 0.00 0.26 -4.73 117.12 112.93 2png n MET 72 Ca 0.07 -3.62 0.13 0.00 0.00 0.00 0.00 57.70 54.28 2png n MET 72 Cb 0.17 -1.83 0.83 0.00 0.00 0.00 0.00 33.22 32.39 2png n MET 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2png h SER 73 N 1.54 0.00 -0.20 3.17 4.64 -0.90 -3.46 113.55 118.34 2png h SER 73 Ca 0.14 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 2png h SER 73 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 2png h SER 73 CO 0.33 0.04 -0.08 -1.20 -0.87 0.00 0.00 176.83 175.05 2png n SER 74 N -3.86 -3.84 -4.75 4.97 7.64 -1.26 -4.95 113.62 107.57 2png n SER 74 Ca -0.03 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.57 2png n SER 74 Cb 0.13 -1.71 -0.06 0.00 -1.01 0.00 0.00 64.21 61.57 2png n SER 74 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2png s LYS 75 N -1.88 4.33 0.59 1.43 -2.85 -1.26 -5.06 119.74 115.04 2png s LYS 75 Ca 0.00 0.69 -0.05 0.00 -1.00 0.00 0.00 55.97 55.61 2png s LYS 75 Cb 0.00 -3.38 0.13 0.00 -2.06 0.00 0.00 37.83 32.52 2png s LYS 75 CO 0.00 0.28 0.81 0.00 0.10 0.00 0.00 175.35 176.53 2png n ALA 76 N 3.10 -0.36 0.00 0.59 0.00 -1.26 -5.06 120.51 117.52 2png n ALA 76 Ca -0.06 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.05 2png n ALA 76 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.76 3.31 3.33 0.00 0.00 -1.26 -4.99 105.19 104.83 2png n GLY 77 Ca 0.12 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2png n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2png s SER 78 N 0.00 0.41 -0.93 1.61 1.04 -1.26 -5.04 113.70 109.53 2png s SER 78 Ca 0.00 -1.35 -0.07 0.00 0.48 0.00 0.00 55.95 55.01 2png s SER 78 Cb 0.00 0.49 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 2png s SER 78 CO 0.00 -1.00 2.96 -0.67 0.98 0.00 0.00 173.24 175.52 2png n ASP 79 N -0.62 7.30 0.00 7.02 2.03 -1.26 -4.77 116.55 126.24 2png n ASP 79 Ca 0.02 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.53 2png n ASP 79 Cb 0.64 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 2png n ASP 79 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2png n THR 80 N 2.38 0.00 -3.95 5.18 -1.04 -1.26 -4.66 114.28 110.92 2png n THR 80 Ca 0.61 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.53 2png n THR 80 Cb 0.47 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 2png n THR 80 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2png s GLU 81 N 0.00 0.92 -0.80 -2.82 -1.05 -1.26 -5.10 118.70 108.58 2png s GLU 81 Ca 0.00 -1.12 -0.03 0.00 -0.15 0.00 0.00 54.97 53.68 2png s GLU 81 Cb 0.00 0.32 0.20 0.00 -0.44 0.00 0.00 34.13 34.21 2png s GLU 81 CO 0.00 -0.29 0.67 -1.17 0.95 0.00 0.00 175.26 175.42 2png s LEU 82 N -2.92 5.51 0.11 1.83 2.96 -1.26 -4.96 118.68 119.95 2png s LEU 82 Ca 0.11 -3.39 -0.26 0.00 -0.22 0.00 0.00 54.13 50.37 2png s LEU 82 Cb 0.05 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.91 2png s LEU 82 CO -0.06 -0.26 1.06 0.00 -1.32 0.00 0.00 176.35 175.76 2png s ALA 83 N -0.86 -1.81 0.15 5.97 0.00 -1.26 -5.17 121.76 118.78 2png s ALA 83 Ca 0.24 0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.54 2png s ALA 83 Cb -0.12 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2png s ALA 83 CO -0.09 -1.05 -0.22 0.00 0.00 0.00 0.00 175.76 174.40 2png s ALA 84 N -2.99 2.17 -0.06 0.00 0.00 -1.26 -5.08 121.76 114.54 2png s ALA 84 Ca 0.13 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 2png s ALA 84 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 2png s ALA 84 CO 0.01 0.37 1.99 -2.14 0.00 0.00 0.00 175.76 175.99 2png s PRO 85 N -2.43 3.84 -0.19 0.00 0.02 -1.26 -4.86 135.00 130.12 2png s PRO 85 Ca 0.15 2.36 -0.17 0.00 0.02 0.00 0.00 61.00 63.35 2png s PRO 85 Cb -0.08 -4.20 -0.13 0.00 0.02 0.00 0.00 34.50 30.10 2png s PRO 85 CO 0.07 -1.29 0.03 1.63 -0.33 0.00 0.00 177.00 177.11 2png n LYS 86 N 7.86 0.53 -2.99 5.54 5.02 -1.26 -4.72 118.16 128.14 2png n LYS 86 Ca 0.22 0.53 -0.44 0.00 -2.02 0.00 0.00 58.31 56.60 2png n LYS 86 Cb 0.43 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2png n LYS 86 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2png s SER 87 N -6.55 6.37 0.00 4.39 1.04 -1.26 -4.66 113.70 113.03 2png s SER 87 Ca -0.26 -1.60 0.09 0.00 0.48 0.00 0.00 55.95 54.67 2png s SER 87 Cb 0.05 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.84 2png s SER 87 CO 0.47 -1.16 0.67 0.29 0.98 0.00 0.00 173.24 174.49 2png n LYS 88 N 6.63 1.42 0.00 4.02 5.02 -1.26 -5.26 118.16 128.73 2png n LYS 88 Ca 0.05 -0.75 0.13 0.00 -2.02 0.00 0.00 58.31 55.71 2png n LYS 88 Cb 0.46 -1.09 0.21 0.00 -0.02 0.00 0.00 35.03 34.59 2png n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17