#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 0.00 -4.27 1.61 8.00 -1.26 -4.87 116.55 115.76 2png n ASP 2 Ca 0.00 0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 2png n ASP 2 Cb 0.00 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 2png n ASP 2 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2png s GLY 3 N -1.46 1.68 0.65 0.44 0.00 -1.26 -5.09 107.32 102.28 2png s GLY 3 Ca 0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.30 2png s GLY 3 CO 0.00 0.55 0.91 -0.54 0.00 0.00 0.00 173.10 174.02 2png s GLU 4 N 1.41 2.04 -0.76 2.90 2.02 -1.26 -4.97 118.70 120.08 2png s GLU 4 Ca 0.02 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 53.79 2png s GLU 4 Cb -0.16 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2png s GLU 4 CO -0.02 -1.15 1.61 0.00 0.02 0.00 0.00 175.26 175.72 2png s ALA 5 N -2.99 2.38 0.00 5.21 0.00 -1.26 -4.59 121.76 120.50 2png s ALA 5 Ca 0.63 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2png s ALA 5 Cb -0.07 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2png s ALA 5 CO 0.42 -3.78 0.00 0.94 0.00 0.00 0.00 175.76 173.34 2png n GLN 6 N 9.17 0.00 -3.57 0.00 7.27 -1.26 -4.72 117.38 124.26 2png n GLN 6 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 2png n GLN 6 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 2png n GLN 6 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2png n ARG 7 N 0.00 -3.35 -3.31 3.69 1.85 -1.26 -5.10 116.66 109.18 2png n ARG 7 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2png n ARG 7 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2png n ARG 7 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2png s ASP 8 N -0.51 7.01 0.55 2.89 1.01 -1.26 -4.83 116.67 121.54 2png s ASP 8 Ca 0.00 1.21 0.23 0.00 0.71 0.00 0.00 52.55 54.70 2png s ASP 8 Cb 0.00 -2.34 1.54 0.00 1.01 0.00 0.00 42.92 43.13 2png s ASP 8 CO 0.00 0.27 2.20 -0.07 0.21 0.00 0.00 175.17 177.78 2png h LEU 9 N 4.46 0.00 -1.45 1.23 3.38 -1.89 0.53 115.31 121.57 2png h LEU 9 Ca -0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2png h LEU 9 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2png h LEU 9 CO 0.63 0.00 0.14 0.58 0.09 0.00 0.00 178.44 179.88 2png h VAL 10 N 0.00 1.14 0.00 1.22 2.07 -1.85 0.45 116.25 119.29 2png h VAL 10 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2png h VAL 10 Cb 0.01 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2png h VAL 10 CO 0.00 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.05 2png n LYS 11 N -4.39 0.10 -0.00 1.57 4.76 0.17 -1.56 118.16 118.82 2png n LYS 11 Ca 0.02 0.17 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 2png n LYS 11 Cb 0.14 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.42 2.52 -0.05 7.82 0.00 -0.58 -4.38 120.51 124.42 2png n ALA 12 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2png n ALA 12 Cb 0.18 0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.24 1.19 0.00 0.00 2.07 -0.20 -0.44 116.25 118.63 2png h VAL 13 Ca -0.06 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 2png h VAL 13 Cb 0.56 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2png h VAL 13 CO -0.04 0.18 -0.51 0.00 0.02 0.00 0.00 177.57 177.23 2png h ALA 14 N 0.86 1.09 -0.03 1.67 0.00 -1.43 -2.60 119.26 118.82 2png h ALA 14 Ca 0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2png h ALA 14 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2png h ALA 14 CO -0.00 0.64 -0.42 1.25 0.00 0.00 0.00 179.25 180.72 2png h HIS 15 N 0.00 0.07 -0.29 0.00 2.76 -1.27 0.32 115.15 116.75 2png h HIS 15 Ca -0.01 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2png h HIS 15 Cb 0.94 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 2png h HIS 15 CO 0.00 0.47 0.11 0.82 -1.30 0.00 0.00 177.93 178.03 2png h ILE 16 N 0.05 1.12 0.10 6.26 1.08 -0.69 -2.87 117.51 122.56 2png h ILE 16 Ca 0.00 -0.37 -0.35 0.00 -0.39 0.00 0.00 64.86 63.76 2png h ILE 16 Cb 0.76 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2png h ILE 16 CO 0.06 0.14 -1.90 -0.07 -0.69 0.00 0.00 178.15 175.69 2png h LEU 17 N 0.40 0.33 0.00 1.44 3.38 -1.35 -3.49 115.31 116.03 2png h LEU 17 Ca 0.10 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2png h LEU 17 Cb 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2png h LEU 17 CO -0.01 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.77 2png n GLY 18 N 1.87 1.53 3.19 0.83 0.00 0.85 -5.13 105.19 108.33 2png n GLY 18 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 1.06 0.00 -0.61 -4.36 0.44 -4.97 121.20 110.76 2png s ILE 19 Ca 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 2png s ILE 19 Cb 0.00 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.35 2png s ILE 19 CO 0.00 -0.48 0.00 -1.14 0.24 0.00 0.00 174.94 173.56 2png n ARG 20 N 0.64 0.00 0.10 0.37 0.63 -1.26 -2.90 116.66 114.23 2png n ARG 20 Ca -0.16 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.87 2png n ARG 20 Cb 0.57 -0.01 -0.01 0.00 0.45 0.00 0.00 32.46 33.47 2png n ARG 20 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2png n ASP 21 N -2.04 0.85 -3.02 6.15 9.92 -1.26 -5.01 116.55 122.14 2png n ASP 21 Ca 0.00 0.33 -0.05 0.00 -0.53 0.00 0.00 54.79 54.55 2png n ASP 21 Cb 0.00 0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2png n ASP 21 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2png n LEU 22 N -2.70 -6.94 -4.08 0.64 7.99 -1.26 -4.85 117.00 105.80 2png n LEU 22 Ca -0.01 0.11 -0.43 0.00 -0.01 0.00 0.00 56.01 55.67 2png n LEU 22 Cb 0.58 -3.25 0.00 0.00 -0.11 0.00 0.00 43.42 40.64 2png n LEU 22 CO 0.40 -1.49 2.04 0.00 -1.51 0.00 0.00 177.39 176.83 2png n ALA 23 N -1.25 4.78 -1.70 -1.18 0.00 -1.26 -4.08 120.51 115.82 2png n ALA 23 Ca 0.03 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.36 2png n ALA 23 Cb 0.50 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 3.87 0.96 3.72 0.00 0.00 -1.26 -5.07 105.19 107.42 2png n GLY 24 Ca 0.44 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.64 4.63 -0.32 -0.61 1.09 -1.26 -5.05 121.20 117.04 2png s ILE 25 Ca 0.00 -0.12 -0.29 0.00 -1.10 0.00 0.00 60.65 59.14 2png s ILE 25 Cb 0.00 -2.98 0.02 0.00 -1.06 0.00 0.00 42.46 38.44 2png s ILE 25 CO 0.00 0.60 1.05 0.20 -0.10 0.00 0.00 174.94 176.69 2png s ASN 26 N -0.79 6.91 0.00 3.58 -0.87 -1.26 -4.85 114.94 117.65 2png s ASN 26 Ca 0.12 1.01 0.14 0.00 -1.57 0.00 0.00 52.86 52.57 2png s ASN 26 Cb -0.12 -2.53 0.52 0.00 -0.02 0.00 0.00 41.25 39.11 2png s ASN 26 CO 0.03 -0.86 1.39 0.18 -2.57 0.00 0.00 177.10 175.26 2png n LEU 27 N 6.82 1.46 0.02 0.60 4.77 -1.26 -2.69 117.00 126.72 2png n LEU 27 Ca 0.11 -0.67 0.12 0.00 -0.03 0.00 0.00 56.01 55.54 2png n LEU 27 Cb 0.47 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.67 2png n LEU 27 CO 0.59 0.34 0.46 0.47 -1.33 0.00 0.00 177.39 177.91 2png n ASP 28 N 0.24 0.51 -4.68 -1.43 8.00 -1.26 -4.29 116.55 113.64 2png n ASP 28 Ca 0.13 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 2png n ASP 28 Cb 0.26 0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.50 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 -3.33 6.95 0.84 -2.24 0.01 -1.09 -4.94 113.70 109.89 2png s SER 29 Ca 0.10 1.16 -0.11 0.00 1.31 0.00 0.00 55.95 58.40 2png s SER 29 Cb 0.16 -2.43 0.10 0.00 0.21 0.00 0.00 66.02 64.06 2png s SER 29 CO 0.69 -0.29 1.09 -0.44 0.41 0.00 0.00 173.24 174.71 2png s SER 30 N 1.05 3.98 0.34 2.44 0.01 -1.26 -2.92 113.70 117.34 2png s SER 30 Ca 0.37 1.55 0.07 0.00 1.31 0.00 0.00 55.95 59.26 2png s SER 30 Cb -0.17 -2.26 0.76 0.00 0.21 0.00 0.00 66.02 64.56 2png s SER 30 CO 0.15 -2.33 1.87 -0.07 0.41 0.00 0.00 173.24 173.27 2png h LEU 31 N -1.33 0.71 -1.53 2.44 3.38 -0.19 0.64 115.31 119.42 2png h LEU 31 Ca -0.47 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2png h LEU 31 Cb 1.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2png h LEU 31 CO 0.54 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 179.44 2png h ALA 32 N 1.59 1.62 -0.11 1.53 0.00 -1.60 0.13 119.26 122.42 2png h ALA 32 Ca 0.44 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2png h ALA 32 Cb 0.61 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2png h ALA 32 CO -0.20 0.28 -0.45 0.22 0.00 0.00 0.00 179.25 179.10 2png h ASP 33 N 0.28 0.59 -0.29 0.00 1.82 -1.19 -3.27 116.42 114.36 2png h ASP 33 Ca 0.06 -0.63 0.02 0.00 -0.39 0.00 0.00 57.03 56.09 2png h ASP 33 Cb 0.22 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 2png h ASP 33 CO 0.01 1.12 0.15 -0.07 -1.61 0.00 0.00 179.24 178.84 2png h LEU 34 N 0.09 0.24 0.00 2.28 4.07 -1.04 -3.46 115.31 117.50 2png h LEU 34 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2png h LEU 34 Cb 1.09 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.79 2png h LEU 34 CO 0.09 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 2png n GLY 35 N -1.18 -0.22 3.56 0.83 0.00 -0.56 -5.09 105.19 102.53 2png n GLY 35 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 3.34 0.00 0.99 2.96 0.36 -4.35 118.68 121.98 2png s LEU 36 Ca 0.00 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 2png s LEU 36 Cb 0.00 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2png s LEU 36 CO 0.00 -2.29 0.00 -0.67 -1.32 0.00 0.00 176.35 172.07 2png n ASP 37 N 12.51 0.22 0.00 3.68 2.03 -1.26 -4.46 116.55 129.28 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 0.51 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2png n SER 38 N -0.49 0.00 0.06 1.67 3.41 -1.26 -4.97 113.62 112.05 2png n SER 38 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2png n SER 38 Cb 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2png n SER 38 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2png h LEU 39 N 0.00 0.00 0.00 1.04 5.85 -1.97 -3.37 115.31 116.86 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 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2png h LEU 39 CO 0.00 0.78 0.00 0.23 -0.34 0.00 0.00 178.44 179.11 2png n MET 40 N -3.17 0.27 0.00 1.25 2.81 -1.26 -0.90 117.12 116.11 2png n MET 40 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2png n MET 40 Cb 0.88 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 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 -0.37 0.00 0.16 3.03 0.00 -1.26 -4.68 105.19 102.06 2png n GLY 41 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.79 -0.45 1.61 2.07 -1.20 -1.85 116.25 117.22 2png h VAL 42 Ca 0.00 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2png h VAL 42 Cb 0.36 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2png h VAL 42 CO 0.00 0.18 0.19 -0.08 0.02 0.00 0.00 177.57 177.88 2png h GLU 43 N -0.82 0.64 0.61 1.57 4.81 -1.79 0.59 114.58 120.18 2png h GLU 43 Ca -0.03 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2png h GLU 43 Cb 0.51 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2png h GLU 43 CO 0.05 0.52 -0.41 0.28 -0.73 0.00 0.00 179.01 178.72 2png h VAL 44 N 0.64 0.18 -0.75 0.32 2.07 -1.79 -0.96 116.25 115.95 2png h VAL 44 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 2png h VAL 44 Cb 0.11 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 2png h VAL 44 CO -0.02 0.00 0.49 -0.09 0.02 0.00 0.00 177.57 177.98 2png h ARG 45 N -0.97 0.73 -0.38 1.57 2.43 -0.79 0.16 114.38 117.13 2png h ARG 45 Ca -0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2png h ARG 45 Cb 0.79 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2png h ARG 45 CO 0.05 0.49 0.00 1.04 -1.51 0.00 0.00 179.97 180.04 2png n GLN 46 N -4.49 1.43 -0.06 0.20 1.13 0.15 -1.59 117.38 114.15 2png n GLN 46 Ca 0.12 -0.50 -0.12 0.00 -1.94 0.00 0.00 57.00 54.56 2png n GLN 46 Cb 0.26 -1.27 -0.04 0.00 0.11 0.00 0.00 30.24 29.30 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 -0.05 0.96 -0.28 5.09 5.41 0.48 -4.16 119.36 126.81 2png n ILE 47 Ca 0.05 -0.05 -0.05 0.00 1.00 0.00 0.00 62.75 63.69 2png n ILE 47 Cb 0.21 -1.78 0.06 0.00 -0.71 0.00 0.00 39.64 37.42 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 -0.51 0.97 0.00 1.39 -0.00 -1.28 0.40 115.31 116.28 2png h LEU 48 Ca -0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2png h LEU 48 Cb 1.06 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2png h LEU 48 CO -0.15 0.80 -0.34 -0.08 -0.00 0.00 0.00 178.44 178.67 2png h GLU 49 N 1.07 0.00 0.00 1.13 4.22 -0.46 0.67 114.58 121.21 2png h GLU 49 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.71 2png h GLU 49 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2png h GLU 49 CO -0.04 0.00 -0.28 -0.09 -2.18 0.00 0.00 179.01 176.42 2png h ARG 50 N 0.00 0.00 -0.53 1.92 9.65 -1.44 -3.35 114.38 120.64 2png h ARG 50 Ca 0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 2png h ARG 50 Cb 0.81 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 2png h ARG 50 CO 0.00 0.00 -0.15 0.93 2.80 0.00 0.00 179.97 183.55 2png h GLU 51 N -0.62 1.03 0.00 0.20 4.39 -0.43 -3.42 114.58 115.73 2png h GLU 51 Ca 0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2png h GLU 51 Cb 0.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2png h GLU 51 CO 0.00 1.09 0.00 0.72 -1.16 0.00 0.00 179.01 179.66 2png n HIS 52 N -4.13 0.00 0.00 4.33 8.25 -1.12 -5.07 115.22 117.48 2png n HIS 52 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2png n HIS 52 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2png n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2png n ASP 53 N 0.00 0.00 -4.55 0.41 5.68 -0.08 -4.88 116.55 113.12 2png n ASP 53 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 2png n ASP 53 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2png s LEU 54 N 0.00 4.38 -0.96 -2.12 1.02 0.03 -4.79 118.68 116.23 2png s LEU 54 Ca 0.00 -0.08 -0.18 0.00 0.02 0.00 0.00 54.13 53.89 2png s LEU 54 Cb 0.00 -2.70 0.13 0.00 0.02 0.00 0.00 46.19 43.64 2png s LEU 54 CO 0.00 -0.62 1.18 -0.69 0.02 0.00 0.00 176.35 176.24 2png s VAL 55 N 2.64 4.73 -0.39 -1.59 1.01 -1.26 -1.77 120.40 123.77 2png s VAL 55 Ca 0.22 -1.66 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 2png s VAL 55 Cb -0.15 -4.81 0.01 0.00 0.00 0.00 0.00 36.38 31.44 2png s VAL 55 CO 0.16 -1.54 0.69 -0.76 0.00 0.00 0.00 175.10 173.64 2png s LEU 56 N 2.66 4.28 0.82 3.92 1.43 -1.26 -5.05 118.68 125.48 2png s LEU 56 Ca 0.34 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2png s LEU 56 Cb -0.04 -2.84 0.08 0.00 0.03 0.00 0.00 46.19 43.42 2png s LEU 56 CO -0.08 -0.70 1.10 -2.84 0.23 0.00 0.00 176.35 174.05 2png s PRO 57 N 2.89 1.90 0.36 1.29 0.02 -1.26 -4.71 135.00 135.48 2png s PRO 57 Ca 0.26 0.67 0.11 0.00 0.02 0.00 0.00 61.00 62.07 2png s PRO 57 Cb -0.14 -1.89 0.68 0.00 0.02 0.00 0.00 34.50 33.17 2png s PRO 57 CO 0.17 -1.76 1.82 0.82 -0.33 0.00 0.00 177.00 177.72 2png h ILE 58 N -1.19 1.26 0.00 2.83 5.03 -1.96 0.34 117.51 123.82 2png h ILE 58 Ca -0.48 -1.26 0.00 0.00 -0.12 0.00 0.00 64.86 63.01 2png h ILE 58 Cb 1.27 1.63 0.00 0.00 -3.03 0.00 0.00 36.82 36.69 2png h ILE 58 CO 0.58 0.36 0.00 -2.11 -0.68 0.00 0.00 178.15 176.31 2png n ARG 59 N -4.11 0.19 -0.03 2.37 0.00 -1.26 -0.82 116.66 113.00 2png n ARG 59 Ca -0.02 0.16 -0.05 0.00 -0.00 0.00 0.00 57.85 57.94 2png n ARG 59 Cb 0.40 -1.50 -0.02 0.00 -0.00 0.00 0.00 32.46 31.34 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 -1.27 0.31 -0.12 2.89 4.71 -0.53 -4.82 120.64 121.81 2png n GLU 60 Ca 0.06 0.12 -0.05 0.00 -0.01 0.00 0.00 57.16 57.29 2png n GLU 60 Cb 0.10 -1.03 0.02 0.00 -1.01 0.00 0.00 31.44 29.52 2png n GLU 60 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2png h VAL 61 N -0.58 0.63 0.00 2.62 2.07 -0.77 -2.78 116.25 117.44 2png h VAL 61 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2png h VAL 61 Cb 0.58 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2png h VAL 61 CO 0.00 0.01 -0.05 -0.09 0.02 0.00 0.00 177.57 177.45 2png h ARG 62 N 0.03 0.00 0.00 1.57 2.43 -1.22 -0.87 114.38 116.32 2png h ARG 62 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2png h ARG 62 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2png h ARG 62 CO -0.38 0.05 -0.54 1.04 -1.51 0.00 0.00 179.97 178.63 2png n GLN 63 N -4.06 0.25 -1.97 0.20 3.00 -1.05 -1.92 117.38 111.83 2png n GLN 63 Ca -0.03 0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 2png n GLN 63 Cb 0.14 -1.67 -0.02 0.00 0.00 0.00 0.00 30.24 28.69 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 -4.09 4.38 0.45 1.08 1.43 -0.33 -4.59 118.68 117.00 2png s LEU 64 Ca 0.07 2.73 -0.10 0.00 -1.03 0.00 0.00 54.13 55.80 2png s LEU 64 Cb 0.14 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 2png s LEU 64 CO 0.70 -0.73 0.81 0.42 0.23 0.00 0.00 176.35 177.78 2png s THR 65 N -0.14 4.78 0.24 5.49 -4.23 -1.26 -0.24 115.64 120.28 2png s THR 65 Ca 0.59 0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 61.62 2png s THR 65 Cb -0.43 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 69.95 2png s THR 65 CO 0.46 -0.65 1.61 0.25 -0.54 0.00 0.00 174.62 175.75 2png h LEU 66 N 0.90 -0.56 -0.92 4.79 7.12 -1.71 0.16 115.31 125.08 2png h LEU 66 Ca -0.47 0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.76 2png h LEU 66 Cb 1.19 0.43 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 2png h LEU 66 CO 0.63 -0.23 -0.02 0.54 -0.13 0.00 0.00 178.44 179.23 2png n ARG 67 N -5.44 1.59 0.18 1.25 5.12 -1.26 -3.02 116.66 115.07 2png n ARG 67 Ca 0.12 -0.92 0.08 0.00 -1.93 0.00 0.00 57.85 55.20 2png n ARG 67 Cb 0.44 -1.48 0.10 0.00 -1.16 0.00 0.00 32.46 30.36 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 2.24 0.00 -0.88 5.56 3.64 -1.03 -3.26 116.57 122.83 2png h LYS 68 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2png h LYS 68 Cb 0.50 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 2png h LYS 68 CO 0.00 0.22 0.57 -0.07 -2.27 0.00 0.00 179.45 177.90 2png h LEU 69 N 0.00 0.78 -0.08 5.20 -0.00 -1.42 -0.03 115.31 119.76 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 1.17 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2png h LEU 69 CO 0.03 0.45 -0.09 0.00 -0.00 0.00 0.00 178.44 178.83 2png n GLN 70 N -4.53 0.39 -0.06 1.13 10.64 -1.23 -1.81 117.38 121.90 2png n GLN 70 Ca 0.15 -0.08 -0.10 0.00 -1.83 0.00 0.00 57.00 55.14 2png n GLN 70 Cb 0.32 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 28.06 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 -1.23 0.66 -1.06 2.61 4.07 -0.32 -4.00 120.64 121.37 2png n GLU 71 Ca 0.12 0.14 -0.15 0.00 -0.06 0.00 0.00 57.16 57.21 2png n GLU 71 Cb 0.28 -1.65 0.21 0.00 -0.06 0.00 0.00 31.44 30.23 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 -2.91 2.43 0.09 5.31 2.81 -0.18 -4.49 117.12 120.18 2png n MET 72 Ca -0.26 -3.07 -0.23 0.00 -1.81 0.00 0.00 57.70 52.34 2png n MET 72 Cb 1.10 -2.08 -0.15 0.00 -0.71 0.00 0.00 33.22 31.38 2png n MET 72 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2png h SER 73 N 1.33 0.63 -4.74 7.83 0.87 -1.49 -3.48 113.55 114.49 2png h SER 73 Ca 0.45 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2png h SER 73 Cb 2.42 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 64.18 2png h SER 73 CO 0.83 1.61 -0.37 -0.24 -0.53 0.00 0.00 176.83 178.13 2png n SER 74 N -3.87 -6.54 -0.09 6.23 2.88 -1.26 -4.87 113.62 106.10 2png n SER 74 Ca -0.18 0.39 -0.22 0.00 -1.33 0.00 0.00 58.87 57.53 2png n SER 74 Cb 0.98 -4.36 -0.12 0.00 -0.75 0.00 0.00 64.21 59.96 2png n SER 74 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2png n LYS 75 N -0.40 0.60 -3.51 -1.46 5.02 -1.26 -4.95 118.16 112.20 2png n LYS 75 Ca 0.09 0.50 0.01 0.00 -2.02 0.00 0.00 58.31 56.89 2png n LYS 75 Cb 0.36 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2png n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2png s ALA 76 N -2.41 -2.70 0.00 7.82 0.00 -1.26 -4.72 121.76 118.49 2png s ALA 76 Ca -0.28 2.01 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2png s ALA 76 Cb 0.07 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2png s ALA 76 CO 0.62 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2png n GLY 77 N 3.84 0.75 2.59 0.00 0.00 -1.26 -4.95 105.19 106.17 2png n GLY 77 Ca -0.14 0.00 -0.18 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 -0.38 -4.87 0.23 1.61 7.64 -1.26 -4.83 113.62 111.76 2png n SER 78 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2png n SER 78 Cb 0.00 -4.07 0.33 0.00 -1.01 0.00 0.00 64.21 59.46 2png n SER 78 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2png h ASP 79 N -0.28 0.00 0.00 6.43 3.32 -2.05 -2.97 116.42 120.87 2png h ASP 79 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2png h ASP 79 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2png h ASP 79 CO 0.48 0.09 0.00 0.35 -1.72 0.00 0.00 179.24 178.43 2png n THR 80 N -3.15 0.00 -3.88 0.35 -2.24 -1.26 -4.54 114.28 99.57 2png n THR 80 Ca 0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.55 2png n THR 80 Cb 0.48 -0.27 -0.17 0.00 -2.10 0.00 0.00 70.33 68.27 2png n THR 80 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2png s GLU 81 N -2.00 1.21 -0.04 -0.78 -1.05 -1.12 -4.99 118.70 109.93 2png s GLU 81 Ca 0.18 -0.13 0.02 0.00 -0.15 0.00 0.00 54.97 54.89 2png s GLU 81 Cb 0.08 -1.37 -0.04 0.00 -0.44 0.00 0.00 34.13 32.36 2png s GLU 81 CO 0.14 -0.27 -0.01 1.28 0.95 0.00 0.00 175.26 177.35 2png n LEU 82 N 4.98 1.06 -1.93 1.83 4.77 -1.26 -4.57 117.00 121.88 2png n LEU 82 Ca -0.11 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 2png n LEU 82 Cb 0.50 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.77 2png n LEU 82 CO 0.15 0.27 1.11 0.00 -1.33 0.00 0.00 177.39 177.58 2png n ALA 83 N -2.32 5.27 -1.87 -1.18 0.00 -1.26 -4.98 120.51 114.17 2png n ALA 83 Ca -0.07 -3.02 -0.41 0.00 0.00 0.00 0.00 53.44 49.94 2png n ALA 83 Cb 0.61 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.32 3.55 0.28 0.00 0.00 -1.26 -4.97 121.76 116.04 2png s ALA 84 Ca 0.54 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.43 2png s ALA 84 Cb 0.46 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 2png s ALA 84 CO 0.07 -0.63 1.14 -2.14 0.00 0.00 0.00 175.76 174.20 2png s PRO 85 N -0.84 4.58 0.42 0.00 0.02 -1.26 -4.93 135.00 133.00 2png s PRO 85 Ca 0.54 1.88 0.20 0.00 0.02 0.00 0.00 61.00 63.65 2png s PRO 85 Cb -0.39 -3.17 0.94 0.00 0.02 0.00 0.00 34.50 31.90 2png s PRO 85 CO 0.45 0.12 1.87 1.57 -0.33 0.00 0.00 177.00 180.69 2png h LYS 86 N 3.81 0.00 -4.33 5.54 2.10 -2.02 -3.48 116.57 118.19 2png h LYS 86 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2png h LYS 86 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 2png h LYS 86 CO 0.67 0.29 -0.72 0.43 -2.00 0.00 0.00 179.45 178.12 2png n SER 87 N -3.74 -4.77 -4.25 7.07 7.64 -1.26 -5.05 113.62 109.27 2png n SER 87 Ca -0.01 0.90 -0.28 0.00 1.01 0.00 0.00 58.87 60.49 2png n SER 87 Cb 0.39 -3.75 0.17 0.00 -1.01 0.00 0.00 64.21 60.00 2png n SER 87 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2png s LYS 88 N -0.98 0.86 0.00 1.43 -2.85 -1.26 -5.34 119.74 111.59 2png s LYS 88 Ca -0.04 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 2png s LYS 88 Cb 0.00 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 2png s LYS 88 CO 0.50 -2.21 0.15 0.27 0.10 0.00 0.00 175.35 174.16