#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 6.11 0.00 1.61 -4.77 -1.26 -4.97 116.67 113.39 2png s ASP 2 Ca 0.00 0.35 0.00 0.00 -3.30 0.00 0.00 52.55 49.60 2png s ASP 2 Cb 0.00 -1.90 0.00 0.00 -1.09 0.00 0.00 42.92 39.93 2png s ASP 2 CO 0.00 0.36 0.00 0.61 0.70 0.00 0.00 175.17 176.84 2png n GLY 3 N 1.72 0.59 3.53 2.12 0.00 -1.26 -5.08 105.19 106.81 2png n GLY 3 Ca -0.17 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2png n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2png s GLU 4 N 1.47 3.47 -0.35 1.61 2.02 -1.26 -5.01 118.70 120.65 2png s GLU 4 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 2png s GLU 4 Cb 0.00 -3.83 0.01 0.00 0.10 0.00 0.00 34.13 30.41 2png s GLU 4 CO 0.00 -0.58 0.20 0.00 0.02 0.00 0.00 175.26 174.90 2png s ALA 5 N 2.01 3.30 0.20 5.21 0.00 -1.26 -5.05 121.76 126.17 2png s ALA 5 Ca 0.11 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 2png s ALA 5 Cb -0.17 -2.55 -0.09 0.00 0.00 0.00 0.00 23.12 20.31 2png s ALA 5 CO 0.12 -1.22 1.40 -1.14 0.00 0.00 0.00 175.76 174.92 2png s GLN 6 N 1.59 4.32 0.76 0.00 0.74 -1.26 -4.99 119.66 120.81 2png s GLN 6 Ca 0.03 2.18 -0.02 0.00 0.05 0.00 0.00 55.36 57.60 2png s GLN 6 Cb -0.18 -3.17 0.15 0.00 1.10 0.00 0.00 33.01 30.91 2png s GLN 6 CO 0.07 -0.38 1.05 -0.98 -0.55 0.00 0.00 175.29 174.49 2png s ARG 7 N 0.15 1.45 0.15 1.67 1.70 -1.25 -3.91 118.95 118.90 2png s ARG 7 Ca 0.60 -1.18 -0.31 0.00 -0.47 0.00 0.00 55.73 54.37 2png s ARG 7 Cb -0.39 -2.29 -0.11 0.00 -0.57 0.00 0.00 34.95 31.59 2png s ARG 7 CO 0.38 -1.63 1.77 -0.51 -1.08 0.00 0.00 175.30 174.22 2png s ASP 8 N -4.81 6.44 0.18 -2.89 1.01 -1.26 -4.60 116.67 110.74 2png s ASP 8 Ca 0.68 2.76 0.22 0.00 0.71 0.00 0.00 52.55 56.92 2png s ASP 8 Cb -0.04 -2.58 0.89 0.00 1.01 0.00 0.00 42.92 42.20 2png s ASP 8 CO 0.46 -0.97 1.67 0.18 0.21 0.00 0.00 175.17 176.71 2png n LEU 9 N 5.07 0.50 0.01 1.23 4.77 -1.25 -1.44 117.00 125.88 2png n LEU 9 Ca 0.17 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.66 2png n LEU 9 Cb 0.37 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 2png n LEU 9 CO 0.65 -0.42 0.47 0.58 -1.33 0.00 0.00 177.39 177.33 2png h VAL 10 N 0.00 1.33 0.00 4.08 2.07 -1.83 0.46 116.25 122.36 2png h VAL 10 Ca 0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2png h VAL 10 Cb 0.38 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2png h VAL 10 CO 0.00 0.56 0.00 0.29 0.02 0.00 0.00 177.57 178.44 2png n LYS 11 N -3.95 0.92 0.08 1.57 4.01 -0.52 -1.49 118.16 118.77 2png n LYS 11 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 2png n LYS 11 Cb 0.61 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.10 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 -0.53 3.00 -0.00 7.82 0.00 -1.04 -4.61 120.51 125.14 2png n ALA 12 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2png n ALA 12 Cb 0.01 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 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 1.25 0.00 0.00 2.07 -0.16 -3.06 116.25 116.36 2png h VAL 13 Ca 0.00 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 2png h VAL 13 Cb 0.09 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2png h VAL 13 CO 0.00 0.34 -0.19 0.00 0.02 0.00 0.00 177.57 177.74 2png h ALA 14 N 0.03 1.13 0.00 1.67 0.00 -1.35 -0.92 119.26 119.83 2png h ALA 14 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2png h ALA 14 Cb 0.62 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2png h ALA 14 CO 0.01 0.24 -0.09 1.25 0.00 0.00 0.00 179.25 180.66 2png h HIS 15 N 0.00 0.00 -0.02 0.00 2.76 -1.35 0.18 115.15 116.73 2png h HIS 15 Ca -0.00 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 2png h HIS 15 Cb 0.57 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 2png h HIS 15 CO 0.00 0.09 -0.88 0.82 -1.30 0.00 0.00 177.93 176.66 2png h ILE 16 N 0.00 1.42 0.00 6.26 1.08 -1.06 -3.17 117.51 122.03 2png h ILE 16 Ca -0.00 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 2png h ILE 16 Cb 0.19 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2png h ILE 16 CO 0.01 0.72 -0.23 0.18 -0.69 0.00 0.00 178.15 178.14 2png n LEU 17 N -3.75 0.60 -0.12 1.44 4.77 -0.38 -4.91 117.00 114.67 2png n LEU 17 Ca -0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2png n LEU 17 Cb 0.80 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2png n LEU 17 CO 0.50 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2png n GLY 18 N 1.37 0.86 3.21 -0.72 0.00 0.25 -5.07 105.19 105.09 2png n GLY 18 Ca 0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.23 1.17 0.00 -0.61 -4.36 0.38 -4.98 121.20 110.57 2png s ILE 19 Ca 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2png s ILE 19 Cb 0.00 -1.41 0.00 0.00 1.25 0.00 0.00 42.46 42.30 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 0.64 0.00 0.20 0.37 0.63 -1.26 -3.29 116.66 113.95 2png n ARG 20 Ca -0.16 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.69 2png n ARG 20 Cb 0.57 -0.12 -0.04 0.00 0.45 0.00 0.00 32.46 33.32 2png n ARG 20 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2png h ASP 21 N 0.00 -0.44 -0.25 6.15 3.58 -1.99 -3.47 116.42 120.00 2png h ASP 21 Ca 0.00 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 2png h ASP 21 Cb 0.00 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2png h ASP 21 CO 0.00 -0.25 -0.10 0.18 -2.88 0.00 0.00 179.24 176.20 2png n LEU 22 N -3.76 0.02 -0.07 2.28 7.99 -1.26 -4.82 117.00 117.38 2png n LEU 22 Ca -0.06 0.13 0.13 0.00 -0.01 0.00 0.00 56.01 56.20 2png n LEU 22 Cb 0.20 -1.91 0.48 0.00 -0.11 0.00 0.00 43.42 42.09 2png n LEU 22 CO 0.15 -0.68 0.74 0.00 -1.51 0.00 0.00 177.39 176.10 2png n ALA 23 N 1.10 2.94 0.00 -1.18 0.00 -1.26 -3.78 120.51 118.33 2png n ALA 23 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2png n ALA 23 Cb 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.00 3.78 0.00 0.00 -1.26 -5.04 105.19 104.06 2png n GLY 24 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.87 3.47 -0.05 -0.61 -1.09 -1.25 -4.96 121.20 114.84 2png s ILE 25 Ca 0.00 1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 59.19 2png s ILE 25 Cb 0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2png s ILE 25 CO 0.00 -0.05 1.44 0.20 -1.23 0.00 0.00 174.94 175.30 2png s ASN 26 N -1.56 6.82 0.00 3.58 0.02 -1.26 -4.85 114.94 117.69 2png s ASN 26 Ca 0.62 2.05 0.21 0.00 -1.02 0.00 0.00 52.86 54.72 2png s ASN 26 Cb -0.24 -2.55 0.25 0.00 0.02 0.00 0.00 41.25 38.73 2png s ASN 26 CO 0.29 -0.78 1.22 0.18 0.02 0.00 0.00 177.10 178.03 2png n LEU 27 N 6.13 2.93 -1.67 0.60 4.77 -1.26 -4.01 117.00 124.49 2png n LEU 27 Ca 0.14 -1.21 0.08 0.00 -0.03 0.00 0.00 56.01 54.99 2png n LEU 27 Cb 0.44 -0.09 0.36 0.00 -2.33 0.00 0.00 43.42 41.80 2png n LEU 27 CO 0.59 0.56 0.82 0.47 -1.33 0.00 0.00 177.39 178.50 2png n ASP 28 N 1.21 5.00 -2.15 -1.43 8.00 -1.26 -4.83 116.55 121.09 2png n ASP 28 Ca 0.14 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 53.00 2png n ASP 28 Cb 0.53 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2png n ASP 28 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2png n SER 29 N 0.85 0.00 -0.02 -2.24 3.41 -1.26 -5.06 113.62 109.30 2png n SER 29 Ca 0.25 -0.82 -0.04 0.00 -0.26 0.00 0.00 58.87 58.01 2png n SER 29 Cb 0.99 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.93 2png n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2png n SER 30 N -2.46 1.19 0.00 4.04 7.64 -1.26 -4.71 113.62 118.07 2png n SER 30 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2png n SER 30 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2png n SER 30 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2png n LEU 31 N -3.66 0.00 0.00 -3.43 7.94 -1.23 -2.52 117.00 114.10 2png n LEU 31 Ca -0.06 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.80 2png n LEU 31 Cb 0.22 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.35 2png n LEU 31 CO 0.09 0.00 0.72 0.00 -1.11 0.00 0.00 177.39 177.09 2png h ALA 32 N 0.00 1.05 0.00 1.96 0.00 -1.78 -2.20 119.26 118.29 2png h ALA 32 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2png h ALA 32 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2png h ALA 32 CO 0.00 0.58 0.00 0.38 0.00 0.00 0.00 179.25 180.21 2png h ASP 33 N 0.46 0.00 1.11 0.00 2.03 -1.90 -0.30 116.42 117.82 2png h ASP 33 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 2png h ASP 33 Cb 0.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2png h ASP 33 CO 0.05 0.00 -0.25 0.18 -1.03 0.00 0.00 179.24 178.20 2png n LEU 34 N -2.79 0.61 0.00 0.15 4.32 -0.84 -4.87 117.00 113.58 2png n LEU 34 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 2png n LEU 34 Cb 0.24 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2png n LEU 34 CO 0.23 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.93 2png n GLY 35 N 1.37 0.13 3.64 -0.72 0.00 -0.17 -5.10 105.19 104.34 2png n GLY 35 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 4.06 0.00 0.99 2.96 -0.89 -4.55 118.68 121.25 2png s LEU 36 Ca 0.00 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 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 -1.17 0.00 -0.67 -1.32 0.00 0.00 176.35 173.19 2png n ASP 37 N 8.15 0.00 0.00 3.68 2.03 -1.26 -4.47 116.55 124.67 2png n ASP 37 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2png n ASP 37 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 -0.48 0.00 -0.17 1.67 7.64 -1.26 -4.95 113.62 116.07 2png n SER 38 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2png n SER 38 Cb 0.00 0.02 0.39 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.59 0.00 -3.43 7.12 -1.98 0.10 115.31 117.72 2png h LEU 39 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2png h LEU 39 Cb 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 2png h LEU 39 CO 0.00 0.37 0.00 0.23 -0.13 0.00 0.00 178.44 178.91 2png n MET 40 N -4.49 0.79 -0.02 1.25 0.00 -1.26 -0.97 117.12 112.43 2png n MET 40 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.79 2png n MET 40 Cb 0.30 -1.31 -0.03 0.00 0.00 0.00 0.00 33.22 32.18 2png n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2png n GLY 41 N 0.48 -0.16 0.11 3.03 0.00 0.21 -4.50 105.19 104.36 2png n GLY 41 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 0.99 -0.91 1.61 2.07 -0.45 -1.26 116.25 118.30 2png h VAL 42 Ca -0.10 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.04 2png h VAL 42 Cb 1.22 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 2png h VAL 42 CO 0.00 0.11 0.57 -0.08 0.02 0.00 0.00 177.57 178.19 2png h GLU 43 N -0.38 0.99 -0.15 1.57 4.57 -1.33 0.96 114.58 120.80 2png h GLU 43 Ca -0.02 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2png h GLU 43 Cb 0.31 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2png h GLU 43 CO 0.03 0.65 0.06 0.28 -1.18 0.00 0.00 179.01 178.85 2png h VAL 44 N 1.01 1.15 -0.34 0.32 2.07 -1.76 -2.54 116.25 116.17 2png h VAL 44 Ca 0.40 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2png h VAL 44 Cb 0.22 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2png h VAL 44 CO -0.19 0.14 0.01 0.03 0.02 0.00 0.00 177.57 177.59 2png h ARG 45 N 0.09 0.52 0.00 1.57 3.08 -0.40 -0.63 114.38 118.62 2png h ARG 45 Ca 0.05 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2png h ARG 45 Cb 0.17 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2png h ARG 45 CO -0.00 0.54 0.00 1.04 -1.07 0.00 0.00 179.97 180.47 2png n GLN 46 N -4.29 0.69 -0.05 0.04 6.02 0.25 -0.24 117.38 119.81 2png n GLN 46 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.94 2png n GLN 46 Cb 0.23 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 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 -0.98 1.42 0.02 5.09 5.41 -0.38 -4.26 119.36 125.68 2png n ILE 47 Ca 0.16 0.22 -0.13 0.00 1.00 0.00 0.00 62.75 64.00 2png n ILE 47 Cb 0.07 -2.13 -0.09 0.00 -0.71 0.00 0.00 39.64 36.78 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 -0.71 -0.03 -0.07 1.39 -0.00 -1.14 -0.46 115.31 114.29 2png h LEU 48 Ca -0.00 -0.34 -0.25 0.00 -0.00 0.00 0.00 57.88 57.29 2png h LEU 48 Cb 0.71 0.01 0.02 0.00 -0.00 0.00 0.00 40.66 41.40 2png h LEU 48 CO -0.00 0.32 -0.97 -0.08 -0.00 0.00 0.00 178.44 177.72 2png h GLU 49 N -0.39 0.69 0.06 1.13 4.81 0.12 0.32 114.58 121.31 2png h GLU 49 Ca -0.00 -0.69 -0.26 0.00 -0.13 0.00 0.00 59.36 58.28 2png h GLU 49 Cb 0.37 0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.94 2png h GLU 49 CO 0.01 1.28 -1.09 -0.09 -0.73 0.00 0.00 179.01 178.39 2png h ARG 50 N 0.41 0.43 0.06 1.92 9.65 -1.53 -1.73 114.38 123.59 2png h ARG 50 Ca -0.10 -0.54 -0.26 0.00 -1.10 0.00 0.00 59.98 57.97 2png h ARG 50 Cb 1.61 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 30.34 2png h ARG 50 CO 0.19 1.20 -1.38 0.93 2.80 0.00 0.00 179.97 183.71 2png h GLU 51 N 0.21 0.13 0.00 0.20 5.08 -1.16 -3.42 114.58 115.62 2png h GLU 51 Ca -0.12 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2png h GLU 51 Cb 1.75 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.08 2png h GLU 51 CO 0.19 1.11 0.00 0.72 -1.00 0.00 0.00 179.01 180.03 2png n HIS 52 N -4.10 0.00 -1.50 4.33 8.25 -0.53 -4.99 115.22 116.68 2png n HIS 52 Ca -0.29 -0.35 -0.16 0.00 -0.26 0.00 0.00 57.72 56.67 2png n HIS 52 Cb 0.81 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.82 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 -0.35 -4.86 -4.53 0.41 8.00 -0.54 -4.93 116.55 109.75 2png n ASP 53 Ca 0.00 0.36 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 2png n ASP 53 Cb 0.17 -3.75 -0.03 0.00 -0.02 0.00 0.00 41.12 37.49 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2png s LEU 54 N -3.60 3.47 -1.00 0.64 1.02 -0.01 -4.77 118.68 114.43 2png s LEU 54 Ca 0.00 -0.71 -0.21 0.00 0.02 0.00 0.00 54.13 53.23 2png s LEU 54 Cb 0.00 -2.53 0.08 0.00 0.02 0.00 0.00 46.19 43.76 2png s LEU 54 CO 0.00 -1.71 1.35 -0.69 0.02 0.00 0.00 176.35 175.32 2png s VAL 55 N 5.27 4.21 -0.45 -1.59 1.01 -1.26 -1.89 120.40 125.69 2png s VAL 55 Ca 0.34 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2png s VAL 55 Cb -0.08 -4.97 0.08 0.00 0.00 0.00 0.00 36.38 31.40 2png s VAL 55 CO 0.10 -1.79 0.35 -0.76 0.00 0.00 0.00 175.10 173.00 2png s LEU 56 N 4.16 5.46 0.88 3.92 1.43 -1.26 -5.06 118.68 128.21 2png s LEU 56 Ca 0.42 -1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 2png s LEU 56 Cb -0.02 -2.11 0.12 0.00 0.03 0.00 0.00 46.19 44.21 2png s LEU 56 CO -0.09 -0.61 1.13 -2.84 0.23 0.00 0.00 176.35 174.17 2png s PRO 57 N 1.56 1.36 0.56 1.29 0.02 -1.26 -4.70 135.00 133.83 2png s PRO 57 Ca 0.04 0.34 0.27 0.00 0.02 0.00 0.00 61.00 61.66 2png s PRO 57 Cb -0.24 -1.86 1.63 0.00 0.02 0.00 0.00 34.50 34.05 2png s PRO 57 CO 0.05 -2.05 2.19 0.82 -0.33 0.00 0.00 177.00 177.67 2png h ILE 58 N -1.40 0.63 -0.99 2.83 5.03 -1.96 -0.16 117.51 121.49 2png h ILE 58 Ca -0.50 -0.16 0.20 0.00 -0.12 0.00 0.00 64.86 64.28 2png h ILE 58 Cb 1.32 1.10 -0.10 0.00 -3.03 0.00 0.00 36.82 36.11 2png h ILE 58 CO 0.62 0.04 0.62 0.03 -0.68 0.00 0.00 178.15 178.77 2png h ARG 59 N 0.00 0.66 0.00 2.37 -0.00 -2.00 0.18 114.38 115.59 2png h ARG 59 Ca -0.00 -0.04 -0.33 0.00 -0.50 0.00 0.00 59.98 59.11 2png h ARG 59 Cb 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 29.97 29.86 2png h ARG 59 CO 0.01 0.44 -2.23 0.39 0.00 0.00 0.00 179.97 178.57 2png n GLU 60 N -4.72 0.95 0.18 0.04 1.02 -0.42 -4.40 120.64 113.29 2png n GLU 60 Ca 0.23 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.44 2png n GLU 60 Cb 0.62 -1.45 0.35 0.00 -0.02 0.00 0.00 31.44 30.94 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 1.11 0.00 2.62 2.07 -0.77 -3.21 116.25 118.07 2png h VAL 61 Ca -0.49 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2png h VAL 61 Cb 1.99 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 2png h VAL 61 CO -0.01 0.39 0.00 -1.14 0.02 0.00 0.00 177.57 176.84 2png n ARG 62 N -3.80 0.03 -0.14 1.57 0.63 0.62 -0.71 116.66 114.87 2png n ARG 62 Ca -0.01 0.31 0.06 0.00 -0.92 0.00 0.00 57.85 57.29 2png n ARG 62 Cb 0.47 -1.50 0.14 0.00 0.45 0.00 0.00 32.46 32.01 2png n ARG 62 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2png n GLN 63 N -1.45 2.20 -2.65 -0.14 3.00 -1.21 -3.52 117.38 113.62 2png n GLN 63 Ca 0.03 -1.85 -0.42 0.00 -0.01 0.00 0.00 57.00 54.75 2png n GLN 63 Cb 0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 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 -1.01 3.57 0.00 1.08 1.43 0.12 -4.86 118.68 119.01 2png s LEU 64 Ca 0.23 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2png s LEU 64 Cb 0.13 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2png s LEU 64 CO 0.17 -1.57 1.37 0.35 0.23 0.00 0.00 176.35 176.91 2png n THR 65 N 6.38 1.24 0.00 5.49 -2.24 -1.13 -4.33 114.28 119.70 2png n THR 65 Ca 0.04 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2png n THR 65 Cb 0.48 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 1.95 0.00 0.17 3.22 -0.00 -1.26 -4.00 117.00 117.08 2png n LEU 66 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.20 2png n LEU 66 Cb 0.33 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.19 2png n LEU 66 CO 0.04 0.00 0.88 0.03 -0.00 0.00 0.00 177.39 178.34 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.92 -2.04 114.38 114.85 2png h ARG 67 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 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 -0.14 -0.22 0.56 0.00 0.00 179.97 180.17 2png h LYS 68 N 0.00 0.00 -0.88 0.04 3.64 -1.87 -2.76 116.57 114.73 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 0.64 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2png h LYS 68 CO 0.00 0.14 0.57 -0.07 -2.27 0.00 0.00 179.45 177.82 2png h LEU 69 N 0.00 0.93 -0.28 5.20 -0.00 -1.68 -0.94 115.31 118.54 2png h LEU 69 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2png h LEU 69 Cb 0.65 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2png h LEU 69 CO 0.02 0.63 -0.02 0.00 -0.00 0.00 0.00 178.44 179.07 2png n GLN 70 N -4.55 1.06 0.00 1.13 10.64 -1.05 -2.12 117.38 122.49 2png n GLN 70 Ca 0.12 -0.28 0.11 0.00 -1.83 0.00 0.00 57.00 55.12 2png n GLN 70 Cb 0.11 -1.49 0.09 0.00 -0.86 0.00 0.00 30.24 28.08 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 -0.73 0.04 -0.34 2.61 4.07 -0.40 -3.72 120.64 122.17 2png n GLU 71 Ca 0.20 -0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.38 2png n GLU 71 Cb 0.21 -1.51 0.17 0.00 -0.06 0.00 0.00 31.44 30.25 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 -1.56 1.38 0.18 5.31 2.81 -0.90 -4.75 117.12 119.59 2png n MET 72 Ca 0.04 -2.88 0.14 0.00 -1.81 0.00 0.00 57.70 53.19 2png n MET 72 Cb 0.35 -1.52 0.46 0.00 -0.71 0.00 0.00 33.22 31.80 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 0.47 0.00 -0.30 7.83 4.64 -1.55 -3.47 113.55 121.17 2png h SER 73 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2png h SER 73 Cb 1.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 2png h SER 73 CO 0.00 0.00 -0.12 -1.20 -0.87 0.00 0.00 176.83 174.65 2png n SER 74 N -2.65 -3.96 -4.69 4.97 7.64 -1.26 -3.93 113.62 109.74 2png n SER 74 Ca 0.03 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 2png n SER 74 Cb 0.36 -2.01 -0.03 0.00 -1.01 0.00 0.00 64.21 61.52 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2png s LYS 75 N -2.29 4.20 -0.40 1.43 1.02 -1.25 -4.60 119.74 117.85 2png s LYS 75 Ca 0.00 2.33 0.03 0.00 0.02 0.00 0.00 55.97 58.35 2png s LYS 75 Cb 0.00 -3.58 0.11 0.00 -0.52 0.00 0.00 37.83 33.85 2png s LYS 75 CO 0.00 -0.73 0.15 0.00 -0.92 0.00 0.00 175.35 173.85 2png s ALA 76 N 2.56 2.66 0.00 5.17 0.00 -1.26 -5.00 121.76 125.89 2png s ALA 76 Ca 0.74 -2.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.07 2png s ALA 76 Cb -0.40 -1.95 -0.11 0.00 0.00 0.00 0.00 23.12 20.66 2png s ALA 76 CO 0.32 -1.84 2.34 0.41 0.00 0.00 0.00 175.76 176.99 2png n GLY 77 N 3.92 2.39 0.06 0.00 0.00 -1.26 -4.14 105.19 106.16 2png n GLY 77 Ca 0.04 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 2.07 0.63 -4.65 1.61 7.64 -1.26 -4.79 113.62 114.88 2png n SER 78 Ca 0.17 0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.80 2png n SER 78 Cb 0.58 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2png n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2png s ASP 79 N -3.97 6.85 -0.37 6.43 2.15 -1.26 -4.98 116.67 121.52 2png s ASP 79 Ca 0.08 1.05 0.04 0.00 0.43 0.00 0.00 52.55 54.16 2png s ASP 79 Cb 0.14 -2.44 0.16 0.00 -0.30 0.00 0.00 42.92 40.49 2png s ASP 79 CO 0.68 -0.48 0.43 0.28 -0.17 0.00 0.00 175.17 175.91 2png s THR 80 N 2.67 -0.50 0.00 1.71 -1.32 -1.26 -4.93 115.64 112.01 2png s THR 80 Ca 0.35 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2png s THR 80 Cb -0.16 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2png s THR 80 CO 0.08 -0.44 0.00 -1.84 -2.21 0.00 0.00 174.62 170.22 2png n GLU 81 N 4.39 1.68 -0.49 7.08 0.28 -1.26 -4.76 120.64 127.56 2png n GLU 81 Ca 0.10 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.19 2png n GLU 81 Cb 0.48 -0.78 0.32 0.00 1.43 0.00 0.00 31.44 32.89 2png n GLU 81 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2png n LEU 82 N -1.50 4.28 0.03 -1.84 7.94 -1.26 -4.13 117.00 120.51 2png n LEU 82 Ca 0.00 -2.32 -0.13 0.00 -1.11 0.00 0.00 56.01 52.46 2png n LEU 82 Cb 0.28 -0.51 -0.14 0.00 0.53 0.00 0.00 43.42 43.58 2png n LEU 82 CO 0.00 0.84 -0.36 0.00 -1.11 0.00 0.00 177.39 176.75 2png h ALA 83 N 3.72 0.48 -2.38 1.96 0.00 -1.92 -3.45 119.26 117.66 2png h ALA 83 Ca 0.00 -1.23 -0.54 0.00 0.00 0.00 0.00 54.91 53.14 2png h ALA 83 Cb 1.25 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2png h ALA 83 CO 0.14 1.33 1.04 0.00 0.00 0.00 0.00 179.25 181.77 2png s ALA 84 N -2.62 3.65 -0.43 0.00 0.00 -1.26 -4.88 121.76 116.22 2png s ALA 84 Ca -0.07 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 2png s ALA 84 Cb 0.08 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 2png s ALA 84 CO 0.83 -1.22 2.20 -2.14 0.00 0.00 0.00 175.76 175.42 2png s PRO 85 N 3.20 2.57 -0.35 0.00 0.02 -1.26 -4.88 135.00 134.29 2png s PRO 85 Ca 0.75 1.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.17 2png s PRO 85 Cb -0.38 -4.46 0.13 0.00 0.02 0.00 0.00 34.50 29.82 2png s PRO 85 CO 0.32 -2.75 0.20 0.15 -0.33 0.00 0.00 177.00 174.59 2png s LYS 86 N 7.31 0.59 -0.14 5.54 1.02 -1.26 -5.09 119.74 127.71 2png s LYS 86 Ca 0.91 -1.30 -0.04 0.00 0.02 0.00 0.00 55.97 55.56 2png s LYS 86 Cb -0.20 -1.43 0.06 0.00 -0.52 0.00 0.00 37.83 35.73 2png s LYS 86 CO 0.28 -1.17 0.10 -1.12 -0.92 0.00 0.00 175.35 172.51 2png s SER 87 N 1.14 1.97 -0.04 2.83 0.01 -1.26 -4.97 113.70 113.38 2png s SER 87 Ca 0.17 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 2png s SER 87 Cb -0.22 -0.15 -0.31 0.00 0.21 0.00 0.00 66.02 65.54 2png s SER 87 CO -0.05 -0.32 0.72 0.50 0.41 0.00 0.00 173.24 174.50 2png h LYS 88 N 8.41 0.41 0.00 12.44 3.64 -2.04 -3.57 116.57 135.86 2png h LYS 88 Ca -0.14 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 2png h LYS 88 Cb 1.14 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2png h LYS 88 CO 0.26 1.33 0.00 0.27 -2.27 0.00 0.00 179.45 179.04