#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png h ASP 2 N 0.00 0.32 0.00 1.61 3.58 -2.06 -3.47 116.42 116.40 2png h ASP 2 Ca 0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2png h ASP 2 Cb 0.00 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2png h ASP 2 CO 0.00 1.44 0.00 0.61 -2.88 0.00 0.00 179.24 178.41 2png n GLY 3 N 1.70 0.15 5.00 -0.78 0.00 -1.26 -5.04 105.19 104.95 2png n GLY 3 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2png n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2png n GLU 4 N 0.00 0.00 -0.04 1.61 -0.58 -1.26 -4.65 120.64 115.73 2png n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2png n GLU 4 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2png n GLU 4 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2png n ALA 5 N 0.00 0.00 -1.45 0.62 0.00 -1.26 -5.08 120.51 113.34 2png n ALA 5 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.87 2png n ALA 5 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 0.00 -2.21 0.00 7.27 -1.26 -4.92 117.38 116.26 2png n GLN 6 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 2png n GLN 6 Cb 0.00 -1.26 -0.01 0.00 2.41 0.00 0.00 30.24 31.39 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 2.59 3.60 0.05 3.69 1.70 -1.26 -4.96 118.95 124.35 2png s ARG 7 Ca 0.88 1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 56.94 2png s ARG 7 Cb -1.26 -2.08 -0.08 0.00 -0.57 0.00 0.00 34.95 30.96 2png s ARG 7 CO 0.68 -0.57 1.78 -0.51 -1.08 0.00 0.00 175.30 175.60 2png s ASP 8 N -2.88 6.53 0.09 -2.89 1.11 -1.26 -4.92 116.67 112.45 2png s ASP 8 Ca 0.62 2.55 -0.28 0.00 0.18 0.00 0.00 52.55 55.62 2png s ASP 8 Cb -0.13 -2.55 -0.12 0.00 1.07 0.00 0.00 42.92 41.19 2png s ASP 8 CO 0.34 -0.97 1.46 -0.07 1.18 0.00 0.00 175.17 177.11 2png h LEU 9 N 9.48 -1.35 -0.47 1.23 -0.00 -1.92 -0.02 115.31 122.26 2png h LEU 9 Ca -0.45 0.15 -0.09 0.00 -0.00 0.00 0.00 57.88 57.49 2png h LEU 9 Cb 1.21 0.51 -0.01 0.00 -0.00 0.00 0.00 40.66 42.36 2png h LEU 9 CO 0.94 -0.44 -0.45 0.58 -0.00 0.00 0.00 178.44 179.07 2png h VAL 10 N -0.58 0.87 0.00 1.22 2.07 -1.90 0.37 116.25 118.30 2png h VAL 10 Ca 0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2png h VAL 10 Cb 0.61 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2png h VAL 10 CO -0.27 0.44 0.00 0.50 0.02 0.00 0.00 177.57 178.26 2png h LYS 11 N 0.00 0.00 0.00 1.57 1.63 -1.84 -2.64 116.57 115.29 2png h LYS 11 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2png h LYS 11 Cb 1.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2png h LYS 11 CO 0.06 0.00 -0.55 0.00 -3.45 0.00 0.00 179.45 175.51 2png n ALA 12 N -2.00 1.22 -0.11 5.00 0.00 -0.05 -4.23 120.51 120.35 2png n ALA 12 Ca 0.02 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 2png n ALA 12 Cb 0.32 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.55 1.06 0.00 0.00 2.07 -0.40 -0.80 116.25 117.63 2png h VAL 13 Ca 0.00 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2png h VAL 13 Cb 0.55 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2png h VAL 13 CO 0.00 0.08 -0.46 0.00 0.02 0.00 0.00 177.57 177.21 2png h ALA 14 N 1.14 0.98 0.00 1.67 0.00 -1.62 -2.57 119.26 118.87 2png h ALA 14 Ca 0.13 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2png h ALA 14 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2png h ALA 14 CO -0.05 0.57 -0.32 1.25 0.00 0.00 0.00 179.25 180.70 2png h HIS 15 N 0.00 0.00 -0.81 0.00 6.17 -1.10 0.24 115.15 119.65 2png h HIS 15 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 2png h HIS 15 Cb 0.97 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.86 2png h HIS 15 CO 0.00 0.32 0.40 0.82 0.71 0.00 0.00 177.93 180.18 2png h ILE 16 N 0.00 1.25 0.00 6.26 1.08 -0.77 -2.40 117.51 122.93 2png h ILE 16 Ca -0.00 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 2png h ILE 16 Cb 0.77 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2png h ILE 16 CO 0.04 0.29 -0.54 -0.07 -0.69 0.00 0.00 178.15 177.19 2png h LEU 17 N 1.15 0.00 -0.15 1.44 3.38 -1.38 -3.47 115.31 116.27 2png h LEU 17 Ca 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2png h LEU 17 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2png h LEU 17 CO -0.04 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2png n GLY 18 N 1.27 1.18 3.41 0.83 0.00 0.00 -5.09 105.19 106.79 2png n GLY 18 Ca 0.03 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.15 1.21 0.00 -0.61 -4.36 0.65 -4.97 121.20 110.97 2png s ILE 19 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 2png s ILE 19 Cb 0.00 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.12 2png s ILE 19 CO 0.00 -0.15 0.00 -1.14 0.24 0.00 0.00 174.94 173.89 2png n ARG 20 N -0.58 0.00 0.02 0.37 0.63 -1.26 -2.97 116.66 112.87 2png n ARG 20 Ca -0.04 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.71 2png n ARG 20 Cb 0.65 -0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.45 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 0.66 -0.62 6.15 3.32 -1.97 -3.47 116.42 120.49 2png h ASP 21 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 57.03 56.06 2png h ASP 21 Cb 0.00 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.26 2png h ASP 21 CO 0.00 1.33 -0.22 0.18 -1.72 0.00 0.00 179.24 178.81 2png n LEU 22 N -4.09 -0.88 -4.49 1.55 7.99 -1.26 -4.93 117.00 110.89 2png n LEU 22 Ca -0.11 0.26 -0.44 0.00 -0.01 0.00 0.00 56.01 55.72 2png n LEU 22 Cb 0.75 -1.80 -0.00 0.00 -0.11 0.00 0.00 43.42 42.25 2png n LEU 22 CO 0.50 -0.56 1.48 0.00 -1.51 0.00 0.00 177.39 177.29 2png s ALA 23 N -2.44 3.79 0.00 -1.18 0.00 -1.26 -2.95 121.76 117.73 2png s ALA 23 Ca 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 48.76 2png s ALA 23 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2png s ALA 23 CO 0.00 -2.91 0.00 0.41 0.00 0.00 0.00 175.76 173.26 2png n GLY 24 N 4.53 0.91 3.90 0.00 0.00 -1.26 -5.13 105.19 108.14 2png n GLY 24 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 4.89 -0.20 -0.61 -1.09 -1.15 -5.05 121.20 117.99 2png s ILE 25 Ca 0.00 0.27 -0.18 0.00 -2.23 0.00 0.00 60.65 58.51 2png s ILE 25 Cb 0.00 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2png s ILE 25 CO 0.00 -0.69 0.52 0.21 -1.23 0.00 0.00 174.94 173.75 2png s ASN 26 N -3.73 6.55 0.00 3.58 3.84 -1.26 -4.93 114.94 118.99 2png s ASN 26 Ca 0.48 0.67 0.22 0.00 0.21 0.00 0.00 52.86 54.44 2png s ASN 26 Cb -0.10 -2.29 0.47 0.00 -0.55 0.00 0.00 41.25 38.77 2png s ASN 26 CO 0.39 -0.19 1.42 0.18 -2.79 0.00 0.00 177.10 176.11 2png n LEU 27 N 4.83 3.54 -0.93 3.21 4.77 -1.26 -3.87 117.00 127.29 2png n LEU 27 Ca -0.05 -1.64 0.12 0.00 -0.03 0.00 0.00 56.01 54.41 2png n LEU 27 Cb 0.50 -0.31 0.23 0.00 -2.33 0.00 0.00 43.42 41.52 2png n LEU 27 CO 0.42 0.80 0.71 0.47 -1.33 0.00 0.00 177.39 178.46 2png n ASP 28 N 1.48 2.83 -4.85 -1.43 8.00 -1.26 -4.76 116.55 116.56 2png n ASP 28 Ca 0.20 -1.90 -0.35 0.00 0.71 0.00 0.00 54.79 53.45 2png n ASP 28 Cb 0.60 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.72 6.79 0.57 -2.24 0.01 -1.25 -5.06 113.70 110.80 2png s SER 29 Ca 0.34 1.02 -0.17 0.00 1.31 0.00 0.00 55.95 58.45 2png s SER 29 Cb 0.21 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2png s SER 29 CO 0.31 0.12 1.07 -0.44 0.41 0.00 0.00 173.24 174.71 2png s SER 30 N -1.71 5.80 0.47 2.44 0.01 -1.26 -4.29 113.70 115.16 2png s SER 30 Ca 0.36 1.90 0.13 0.00 1.31 0.00 0.00 55.95 59.66 2png s SER 30 Cb -0.15 -2.55 1.08 0.00 0.21 0.00 0.00 66.02 64.61 2png s SER 30 CO 0.19 -1.16 2.07 0.25 0.41 0.00 0.00 173.24 175.00 2png h LEU 31 N 0.70 0.10 -1.04 2.44 5.85 -0.80 -0.35 115.31 122.21 2png h LEU 31 Ca -0.48 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.14 2png h LEU 31 Cb 1.23 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2png h LEU 31 CO 0.57 0.15 -0.34 0.00 -0.34 0.00 0.00 178.44 178.48 2png h ALA 32 N 1.87 1.19 -0.17 1.25 0.00 -1.57 -0.85 119.26 120.98 2png h ALA 32 Ca 0.03 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 2png h ALA 32 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2png h ALA 32 CO 0.00 0.54 -0.69 0.22 0.00 0.00 0.00 179.25 179.32 2png h ASP 33 N 0.22 0.80 -0.92 0.00 1.82 -1.34 -3.02 116.42 113.97 2png h ASP 33 Ca 0.03 -0.49 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 2png h ASP 33 Cb 0.71 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 2png h ASP 33 CO 0.05 1.26 0.54 -0.07 -1.61 0.00 0.00 179.24 179.42 2png h LEU 34 N 0.49 1.12 0.00 2.28 3.38 -0.94 -3.45 115.31 118.20 2png h LEU 34 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2png h LEU 34 Cb 1.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2png h LEU 34 CO 0.14 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2png n GLY 35 N -1.20 0.00 3.61 0.83 0.00 -0.79 -5.04 105.19 102.59 2png n GLY 35 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.69 0.00 0.99 2.96 -0.39 -4.67 118.68 121.26 2png s LEU 36 Ca 0.00 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2png s LEU 36 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 2png s LEU 36 CO 0.00 -1.22 0.00 -0.90 -1.32 0.00 0.00 176.35 172.91 2png n ASP 37 N 7.87 4.46 0.03 3.68 5.75 -1.26 -4.29 116.55 132.79 2png n ASP 37 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 2png n ASP 37 Cb 0.48 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2png n SER 38 N -1.83 -0.59 -0.33 -1.12 3.41 -1.26 -4.99 113.62 106.91 2png n SER 38 Ca 0.00 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 2png n SER 38 Cb 0.43 0.98 0.23 0.00 -0.26 0.00 0.00 64.21 65.59 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 0.93 -0.17 1.04 7.12 -1.96 0.00 115.31 122.27 2png h LEU 39 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2png h LEU 39 Cb 0.00 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2png h LEU 39 CO 0.00 0.57 0.00 0.23 -0.13 0.00 0.00 178.44 179.11 2png n MET 40 N -4.53 0.79 -0.05 1.25 2.81 -1.26 -1.05 117.12 115.08 2png n MET 40 Ca 0.16 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.98 2png n MET 40 Cb 0.25 -1.07 -0.04 0.00 -0.71 0.00 0.00 33.22 31.65 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 0.26 -0.14 0.12 3.03 0.00 -0.06 -4.52 105.19 103.87 2png n GLY 41 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 1.13 -0.84 1.61 2.07 -0.82 -2.03 116.25 117.37 2png h VAL 42 Ca -0.21 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2png h VAL 42 Cb 1.33 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 2png h VAL 42 CO -0.03 0.12 0.49 -0.08 0.02 0.00 0.00 177.57 178.09 2png h GLU 43 N 0.20 0.79 -0.68 1.57 4.57 -1.37 -0.05 114.58 119.61 2png h GLU 43 Ca 0.07 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2png h GLU 43 Cb 0.11 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2png h GLU 43 CO -0.01 0.52 0.36 0.28 -1.18 0.00 0.00 179.01 178.98 2png h VAL 44 N 0.81 1.22 0.00 0.32 2.07 -1.72 -1.07 116.25 117.88 2png h VAL 44 Ca 0.41 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 2png h VAL 44 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2png h VAL 44 CO -0.25 0.24 -0.41 0.03 0.02 0.00 0.00 177.57 177.20 2png h ARG 45 N 0.93 0.00 0.00 1.57 3.08 -0.46 0.14 114.38 119.64 2png h ARG 45 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2png h ARG 45 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2png h ARG 45 CO -0.04 0.41 0.00 1.96 -1.07 0.00 0.00 179.97 181.24 2png h GLN 46 N 0.00 0.00 0.00 0.04 1.08 0.19 0.39 115.11 116.80 2png h GLN 46 Ca -0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 2png h GLN 46 Cb 0.75 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 2png h GLN 46 CO 0.05 0.00 -1.27 -0.89 -0.95 0.00 0.00 178.83 175.78 2png n ILE 47 N -2.64 1.52 -0.09 2.54 5.41 -0.59 -4.21 119.36 121.30 2png n ILE 47 Ca 0.03 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.60 2png n ILE 47 Cb 0.36 -2.07 -0.09 0.00 -0.71 0.00 0.00 39.64 37.13 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 0.00 -0.01 1.39 -0.00 -0.75 -3.30 115.31 111.63 2png h LEU 48 Ca -0.33 -0.47 -0.00 0.00 -0.00 0.00 0.00 57.88 57.07 2png h LEU 48 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2png h LEU 48 CO -0.20 1.19 -0.00 -0.08 -0.00 0.00 0.00 178.44 179.35 2png h GLU 49 N -1.00 0.02 -0.33 1.13 4.81 0.60 0.11 114.58 119.92 2png h GLU 49 Ca -0.19 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 2png h GLU 49 Cb 1.01 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2png h GLU 49 CO -0.12 0.42 0.03 -0.09 -0.73 0.00 0.00 179.01 178.52 2png h ARG 50 N -0.39 0.50 0.00 1.92 2.43 -0.94 -2.53 114.38 115.37 2png h ARG 50 Ca 0.00 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 2png h ARG 50 Cb 0.42 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2png h ARG 50 CO 0.00 0.51 -1.47 0.39 -1.51 0.00 0.00 179.97 177.88 2png n GLU 51 N -4.31 0.52 -0.20 0.20 -0.58 -1.21 -4.67 120.64 110.38 2png n GLU 51 Ca 0.01 0.21 0.11 0.00 -0.42 0.00 0.00 57.16 57.08 2png n GLU 51 Cb 0.22 -1.39 0.21 0.00 -0.57 0.00 0.00 31.44 29.91 2png n GLU 51 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2png n HIS 52 N -4.32 0.53 -1.03 -0.32 -0.00 0.28 -4.91 115.22 105.46 2png n HIS 52 Ca -0.27 -0.29 -0.01 0.00 0.46 0.00 0.00 57.72 57.61 2png n HIS 52 Cb 0.62 -0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.48 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2png n ASP 53 N 1.39 -4.43 -4.57 0.26 2.03 -0.80 -4.93 116.55 105.49 2png n ASP 53 Ca 0.19 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 55.11 2png n ASP 53 Cb 0.58 -2.01 -0.02 0.00 -0.72 0.00 0.00 41.12 38.94 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 -0.21 3.63 -0.74 -2.67 1.02 -0.63 -4.79 118.68 114.29 2png s LEU 54 Ca 0.00 -1.88 -0.26 0.00 0.02 0.00 0.00 54.13 52.01 2png s LEU 54 Cb 0.00 -2.57 -0.01 0.00 0.02 0.00 0.00 46.19 43.63 2png s LEU 54 CO 0.00 -1.45 1.73 -0.69 0.02 0.00 0.00 176.35 175.96 2png s VAL 55 N 5.02 3.50 -0.39 -1.59 1.01 -1.26 -1.62 120.40 125.06 2png s VAL 55 Ca 0.51 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 2png s VAL 55 Cb 0.02 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.15 2png s VAL 55 CO -0.01 -1.20 0.31 -0.76 0.00 0.00 0.00 175.10 173.44 2png s LEU 56 N 8.26 4.90 0.51 3.92 1.43 -1.26 -5.03 118.68 131.40 2png s LEU 56 Ca 0.59 -0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 2png s LEU 56 Cb -0.09 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2png s LEU 56 CO 0.12 -0.41 1.11 -2.84 0.23 0.00 0.00 176.35 174.56 2png s PRO 57 N 1.78 3.58 0.61 1.29 0.02 -1.26 -4.79 135.00 136.23 2png s PRO 57 Ca 0.07 1.59 0.32 0.00 0.02 0.00 0.00 61.00 63.00 2png s PRO 57 Cb -0.18 -2.14 1.83 0.00 0.02 0.00 0.00 34.50 34.03 2png s PRO 57 CO 0.11 -0.66 2.17 0.82 -0.33 0.00 0.00 177.00 179.11 2png h ILE 58 N 1.47 0.36 -0.43 2.83 5.03 -1.96 -0.95 117.51 123.87 2png h ILE 58 Ca -0.50 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.32 2png h ILE 58 Cb 1.25 0.89 -0.09 0.00 -3.03 0.00 0.00 36.82 35.83 2png h ILE 58 CO 0.58 0.00 -0.34 0.03 -0.68 0.00 0.00 178.15 177.74 2png h ARG 59 N 0.00 -0.24 0.12 2.37 -0.00 -2.01 0.11 114.38 114.73 2png h ARG 59 Ca 0.04 0.02 -0.29 0.00 -0.50 0.00 0.00 59.98 59.25 2png h ARG 59 Cb 0.30 0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.33 2png h ARG 59 CO -0.00 -0.16 -1.37 0.93 0.00 0.00 0.00 179.97 179.37 2png h GLU 60 N -0.25 0.26 -0.36 0.04 4.39 -1.59 -3.31 114.58 113.76 2png h GLU 60 Ca 0.18 -0.44 0.06 0.00 0.34 0.00 0.00 59.36 59.50 2png h GLU 60 Cb 0.55 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 2png h GLU 60 CO -0.56 1.16 0.25 0.28 -1.16 0.00 0.00 179.01 178.97 2png h VAL 61 N 0.07 0.94 0.00 3.13 2.07 -0.82 -1.29 116.25 120.35 2png h VAL 61 Ca -0.18 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2png h VAL 61 Cb 1.99 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2png h VAL 61 CO 0.18 0.04 0.00 0.54 0.02 0.00 0.00 177.57 178.36 2png n ARG 62 N -4.48 0.10 -0.17 1.57 1.74 0.34 -1.36 116.66 114.41 2png n ARG 62 Ca 0.04 0.50 0.07 0.00 -0.77 0.00 0.00 57.85 57.70 2png n ARG 62 Cb 0.27 -1.77 0.16 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.97 2.33 -2.27 5.56 3.00 -0.49 -0.68 117.38 122.86 2png n GLN 63 Ca 0.00 -1.99 -0.42 0.00 -0.01 0.00 0.00 57.00 54.58 2png n GLN 63 Cb 0.09 -1.34 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 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 -1.07 3.47 0.00 1.08 1.43 -0.46 -4.52 118.68 118.60 2png s LEU 64 Ca 0.27 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2png s LEU 64 Cb 0.15 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.14 2png s LEU 64 CO 0.20 -1.70 1.86 0.35 0.23 0.00 0.00 176.35 177.30 2png n THR 65 N 7.07 1.86 0.00 5.49 -2.24 -1.26 -2.99 114.28 122.21 2png n THR 65 Ca 0.16 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2png n THR 65 Cb 0.49 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 1.50 0.00 0.17 3.22 -0.00 -1.26 -4.07 117.00 116.56 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 0.47 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.25 2png n LEU 66 CO 0.00 0.00 0.87 0.03 -0.00 0.00 0.00 177.39 178.29 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.92 -2.36 114.38 114.54 2png h ARG 67 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 2png h ARG 67 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2png h ARG 67 CO 0.00 0.00 -0.25 -0.22 0.56 0.00 0.00 179.97 180.06 2png h LYS 68 N 0.00 0.00 -0.84 0.04 3.64 -1.91 -2.93 116.57 114.57 2png h LYS 68 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2png h LYS 68 Cb 0.77 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 2png h LYS 68 CO 0.00 0.25 0.47 -0.07 -2.27 0.00 0.00 179.45 177.83 2png h LEU 69 N 0.00 0.66 -0.71 5.20 -0.00 -1.76 0.60 115.31 119.30 2png h LEU 69 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2png h LEU 69 Cb 0.54 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2png h LEU 69 CO 0.03 0.35 0.00 0.00 -0.00 0.00 0.00 178.44 178.83 2png n GLN 70 N -4.76 1.47 -0.05 1.13 10.64 -1.11 -1.43 117.38 123.26 2png n GLN 70 Ca 0.15 -0.70 -0.00 0.00 -1.83 0.00 0.00 57.00 54.61 2png n GLN 70 Cb 0.32 -1.35 -0.14 0.00 -0.86 0.00 0.00 30.24 28.20 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 -0.07 0.92 -0.28 2.61 2.13 0.08 -4.26 120.64 121.76 2png n GLU 71 Ca 0.15 -0.08 0.09 0.00 0.66 0.00 0.00 57.16 57.98 2png n GLU 71 Cb 0.23 -1.43 0.20 0.00 0.27 0.00 0.00 31.44 30.71 2png n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2png n MET 72 N -2.40 2.33 -0.07 5.31 0.00 -0.47 -4.70 117.12 117.12 2png n MET 72 Ca -0.16 -2.66 0.07 0.00 0.00 0.00 0.00 57.70 54.95 2png n MET 72 Cb 0.78 -1.66 0.43 0.00 0.00 0.00 0.00 33.22 32.77 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 1.10 0.48 -5.00 3.17 4.64 -1.42 -3.46 113.55 113.06 2png h SER 73 Ca 0.00 -0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2png h SER 73 Cb 1.22 -0.11 0.06 0.00 -0.31 0.00 0.00 62.40 63.26 2png h SER 73 CO 0.12 0.32 -0.63 -1.20 -0.87 0.00 0.00 176.83 174.58 2png n SER 74 N -4.47 -5.94 -0.63 4.97 7.64 -1.26 -4.86 113.62 109.06 2png n SER 74 Ca 0.07 -0.38 0.06 0.00 1.01 0.00 0.00 58.87 59.62 2png n SER 74 Cb 0.20 -4.77 0.16 0.00 -1.01 0.00 0.00 64.21 58.80 2png n SER 74 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2png n LYS 75 N -4.29 2.87 0.00 1.43 4.81 -1.26 -5.02 118.16 116.71 2png n LYS 75 Ca -0.07 -2.17 0.00 0.00 -0.87 0.00 0.00 58.31 55.20 2png n LYS 75 Cb 0.59 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2png n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2png n ALA 76 N 0.22 0.00 -0.74 3.14 0.00 -1.26 -4.92 120.51 116.96 2png n ALA 76 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2png n ALA 76 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.86 0.16 0.00 0.00 -1.26 -0.77 105.19 104.17 2png n GLY 77 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.56 2png n GLY 77 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2png h SER 78 N 0.00 0.00 -0.21 1.61 4.64 -2.02 -3.38 113.55 114.19 2png h SER 78 Ca 0.00 -0.02 -0.71 0.00 -0.47 0.00 0.00 61.79 60.58 2png h SER 78 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2png h SER 78 CO 0.00 0.01 3.02 0.47 -0.87 0.00 0.00 176.83 179.46 2png n ASP 79 N -2.72 4.41 -3.29 4.97 8.00 0.05 -4.67 116.55 123.29 2png n ASP 79 Ca 0.04 -2.87 -0.07 0.00 0.71 0.00 0.00 54.79 52.61 2png n ASP 79 Cb 0.50 -1.62 -0.06 0.00 -0.02 0.00 0.00 41.12 39.92 2png n ASP 79 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2png s THR 80 N 2.68 -0.69 -0.17 -3.53 2.01 -1.26 -4.60 115.64 110.07 2png s THR 80 Ca 0.47 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 2png s THR 80 Cb 0.14 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2png s THR 80 CO -0.07 -0.18 0.18 -1.61 -0.69 0.00 0.00 174.62 172.25 2png s GLU 81 N 2.60 4.11 -0.95 4.92 8.01 -1.26 -5.01 118.70 131.12 2png s GLU 81 Ca 0.12 -0.11 -0.24 0.00 0.01 0.00 0.00 54.97 54.75 2png s GLU 81 Cb -0.13 -3.39 0.03 0.00 -4.31 0.00 0.00 34.13 26.33 2png s GLU 81 CO -0.24 0.35 1.51 -1.17 0.01 0.00 0.00 175.26 175.72 2png s LEU 82 N 0.19 3.39 -0.20 1.80 0.20 -1.26 -4.67 118.68 118.14 2png s LEU 82 Ca 0.12 -1.13 -0.15 0.00 0.69 0.00 0.00 54.13 53.65 2png s LEU 82 Cb -0.12 -2.57 -0.20 0.00 -0.43 0.00 0.00 46.19 42.88 2png s LEU 82 CO 0.01 -1.77 0.14 0.00 -0.29 0.00 0.00 176.35 174.43 2png n ALA 83 N 9.85 0.92 -3.14 5.97 0.00 -1.26 -4.88 120.51 127.97 2png n ALA 83 Ca 0.29 -0.65 -0.33 0.00 0.00 0.00 0.00 53.44 52.76 2png n ALA 83 Cb 0.50 -0.46 -0.15 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.45 2.56 -0.12 0.00 0.00 -1.26 -5.09 121.76 115.40 2png s ALA 84 Ca -0.29 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 2png s ALA 84 Cb 0.08 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2png s ALA 84 CO 0.63 0.21 1.17 -2.14 0.00 0.00 0.00 175.76 175.63 2png s PRO 85 N 0.41 4.32 -0.54 0.00 0.02 -1.26 -4.98 135.00 132.97 2png s PRO 85 Ca -0.11 1.59 -0.23 0.00 0.02 0.00 0.00 61.00 62.27 2png s PRO 85 Cb -0.16 -3.62 0.05 0.00 0.02 0.00 0.00 34.50 30.78 2png s PRO 85 CO 0.05 -0.52 0.84 0.15 -0.33 0.00 0.00 177.00 177.19 2png s LYS 86 N 2.67 3.27 0.00 5.54 1.02 -1.26 -4.83 119.74 126.15 2png s LYS 86 Ca 0.53 -0.45 0.22 0.00 0.02 0.00 0.00 55.97 56.28 2png s LYS 86 Cb -0.22 -4.07 -0.23 0.00 -0.52 0.00 0.00 37.83 32.80 2png s LYS 86 CO 0.17 -1.40 0.73 0.43 -0.92 0.00 0.00 175.35 174.36 2png n SER 87 N 7.06 0.47 -3.95 2.83 7.64 -1.26 -4.69 113.62 121.72 2png n SER 87 Ca -0.01 -0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.20 2png n SER 87 Cb 0.47 1.41 -0.14 0.00 -1.01 0.00 0.00 64.21 64.94 2png n SER 87 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2png s LYS 88 N -3.28 1.76 0.00 1.43 2.47 -1.26 -5.37 119.74 115.49 2png s LYS 88 Ca -0.00 -2.34 0.00 0.00 -1.56 0.00 0.00 55.97 52.07 2png s LYS 88 Cb 0.15 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 2png s LYS 88 CO 0.87 -1.06 0.00 0.09 0.16 0.00 0.00 175.35 175.41